CID 12574726

1-chloro-1,2,2,2-tetrafluoroethanesulfonic acid

Structural Information

Molecular Formula
C2HClF4O3S
SMILES
C(C(F)(S(=O)(=O)O)Cl)(F)(F)F
InChI
InChI=1S/C2HClF4O3S/c3-1(4,2(5,6)7)11(8,9)10/h(H,8,9,10)
InChIKey
XYMXFNHFPLQXTR-UHFFFAOYSA-N
Compound name
1-chloro-1,2,2,2-tetrafluoroethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

215.92711 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.934386 127.9
[M+Na]+ 238.916328 138.2
[M-H]- 214.919834 122.8
[M+NH4]+ 233.960933 146.8
[M+K]+ 254.890268 134.8
[M+H-H2O]+ 198.924370 122.4
[M+HCOO]- 260.925311 134.0
[M+CH3COO]- 274.940961 176.2
[M+Na-2H]- 236.901776 133.3
[M]+ 215.92656142 125.8
[M]- 215.92765858 125.8
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