CID 10219841

Pentafluoroethanesulfonic acid

Structural Information

Molecular Formula
C2HF5O3S
SMILES
C(C(F)(F)S(=O)(=O)O)(F)(F)F
InChI
InChI=1S/C2HF5O3S/c3-1(4,5)2(6,7)11(8,9)10/h(H,8,9,10)
InChIKey
GKNWQHIXXANPTN-UHFFFAOYSA-N
Compound name
1,1,2,2,2-pentafluoroethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

5834
Patents

199.95665 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.96393 126.9
[M+Na]+ 222.94587 136.6
[M-H]- 198.94937 120.2
[M+NH4]+ 217.99047 145.5
[M+K]+ 238.91981 134.7
[M+H-H2O]+ 182.95391 119.4
[M+HCOO]- 244.95485 136.2
[M+CH3COO]- 258.97050 175.3
[M+Na-2H]- 220.93132 131.8
[M]+ 199.95610 121.6
[M]- 199.95720 121.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe