CID 139597513

(perfluoropentyl)methane-1-sulfonic acid

Structural Information

Molecular Formula
C6H3F11O3S
SMILES
C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)O
InChI
InChI=1S/C6H3F11O3S/c7-2(8,1-21(18,19)20)3(9,10)4(11,12)5(13,14)6(15,16)17/h1H2,(H,18,19,20)
InChIKey
VQLVZRWGZRIQOG-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,6-undecafluorohexane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

363.96274 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.97002 160.0
[M+Na]+ 386.95196 168.7
[M-H]- 362.95546 146.3
[M+NH4]+ 381.99656 171.0
[M+K]+ 402.92590 165.4
[M+H-H2O]+ 346.96000 147.8
[M+HCOO]- 408.96094 157.7
[M+CH3COO]- 422.97659 207.0
[M+Na-2H]- 384.93741 163.7
[M]+ 363.96219 145.5
[M]- 363.96329 145.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.