PubChemLite - 1946796-71-9 (C16H6F26)

Structural Information

Molecular Formula

SMILES

C(/C=C/CC(C(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F)C(C(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C16H6F26/c17-7(18,9(21,22)15(37,38)39)5(11(25,26)27,12(28,29)30)3-1-2-4-6(13(31,32)33,14(34,35)36)8(19,20)10(23,24)16(40,41)42/h1-2H,3-4H2/b2-1+

InChIKey

FVKWUSQLPAJKRY-OWOJBTEDSA-N

Compound name

(E)-1,1,1,2,2,3,3,10,10,11,11,12,12,12-tetradecafluoro-4,4,9,9-tetrakis(trifluoromethyl)dodec-6-ene

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]+	693.01271	198.1
[M+Na]+	714.99465	202.2
[M-H]-	690.99815	207.8
[M+NH4]+	710.03925	209.3
[M+K]+	730.96859	215.9
[M+H-H2O]+	675.00269	185.1
[M+HCOO]-	737.00363	216.4
[M+CH3COO]-	751.01928	260.2
[M+Na-2H]-	712.98010	199.3
[M]+	692.00488	195.4
[M]-	692.00598	195.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

693.01271

198.1

[M+Na]+

714.99465

202.2

[M-H]-

690.99815

207.8

[M+NH4]+

710.03925

209.3

[M+K]+

730.96859

215.9

[M+H-H2O]+

675.00269

185.1

[M+HCOO]-

737.00363

216.4

[M+CH3COO]-

751.01928

260.2

[M+Na-2H]-

712.98010

199.3

[M]+

692.00488

195.4

[M]-

692.00598

195.4

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

1946796-71-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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