PubChemLite - Dtxsid801043704 (C30H45F15N2O4S)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCCN1CC(OC1=O)CN(C)S(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C30H45F15N2O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-47-21-22(51-23(47)48)20-46(2)52(49,50)30(44,45)28(39,40)26(35,36)24(31,32)25(33,34)27(37,38)29(41,42)43/h22H,3-21H2,1-2H3

InChIKey

GFIBJGAFWBYNAT-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-methyl-N-[(3-octadecyl-2-oxo-1,3-oxazolidin-5-yl)methyl]heptane-1-sulfonamide

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]+	815.29338	246.8
[M+Na]+	837.27532	254.8
[M-H]-	813.27882	253.3
[M+NH4]+	832.31992	261.3
[M+K]+	853.24926	265.2
[M+H-H2O]+	797.28336	238.2
[M+HCOO]-	859.28430	266.7
[M+CH3COO]-	873.29995	289.8
[M+Na-2H]-	835.26077	237.5
[M]+	814.28555	248.8
[M]-	814.28665	248.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

815.29338

246.8

[M+Na]+

837.27532

254.8

[M-H]-

813.27882

253.3

[M+NH4]+

832.31992

261.3

[M+K]+

853.24926

265.2

[M+H-H2O]+

797.28336

238.2

[M+HCOO]-

859.28430

266.7

[M+CH3COO]-

873.29995

289.8

[M+Na-2H]-

835.26077

237.5

[M]+

814.28555

248.8

[M]-

814.28665

248.8

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

Dtxsid801043704

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe