Ns00111610 (C24H21F27Sn)

Structural Information

Molecular Formula

SMILES

C(CC(C=C(CCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)[SnH])CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C24H20F27.Sn.H/c25-13(26,16(31,32)19(37,38)22(43,44)45)9-3-1-2-6-12(7-4-10-14(27,28)17(33,34)20(39,40)23(46,47)48)8-5-11-15(29,30)18(35,36)21(41,42)24(49,50)51;;/h2,6H,1,3-5,7-11H2;;

InChIKey

AWXKBZBNZBUKHW-UHFFFAOYSA-N

Compound name

[1,1,1,2,2,3,3,4,4,14,14,15,15,16,16,17,17,17-octadecafluoro-10-(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)heptadec-9-en-8-yl]-lambda2-stannane

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	943.030716	251.6
[M+Na]+	965.012658	255.1
[M-H]-	941.016164	261.0
[M+NH4]+	960.057263	264.6
[M+K]+	980.986598	271.8
[M+H-H2O]+	925.020700	238.3
[M+HCOO]-	987.021641	263.2
[M+CH3COO]-	1001.037291	281.8
[M+Na-2H]-	962.998106	248.1
[M]+	942.02289142	246.3
[M]-	942.02398858	246.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

943.030716

251.6

[M+Na]+

965.012658

255.1

[M-H]-

941.016164

261.0

[M+NH4]+

960.057263

264.6

[M+K]+

980.986598

271.8

[M+H-H2O]+

925.020700

238.3

[M+HCOO]-

987.021641

263.2

[M+CH3COO]-

1001.037291

281.8

[M+Na-2H]-

962.998106

248.1

[M]+

942.02289142

246.3

[M]-

942.02398858

246.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Ns00111610

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe