CID 139597843

1-chloroperfluoropentanesulfonic acid

Structural Information

Molecular Formula
C5HClF10O3S
SMILES
C(C(C(F)(F)F)(F)F)(C(C(F)(S(=O)(=O)O)Cl)(F)F)(F)F
InChI
InChI=1S/C5HClF10O3S/c6-4(13,20(17,18)19)2(9,10)1(7,8)3(11,12)5(14,15)16/h(H,17,18,19)
InChIKey
XKXAHJLACPVBNP-UHFFFAOYSA-N
Compound name
1-chloro-1,2,2,3,3,4,4,5,5,5-decafluoropentane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

365.9175 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.92478 153.8
[M+Na]+ 388.90672 163.4
[M-H]- 364.91022 141.9
[M+NH4]+ 383.95132 165.8
[M+K]+ 404.88066 159.0
[M+H-H2O]+ 348.91476 143.4
[M+HCOO]- 410.91570 148.9
[M+CH3COO]- 424.93135 204.7
[M+Na-2H]- 386.89217 158.7
[M]+ 365.91695 142.4
[M]- 365.91805 142.4
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.