CID 21554361

Dichlorofluoro-methanesulfonic acid

Structural Information

Molecular Formula
CHCl2FO3S
SMILES
C(F)(S(=O)(=O)O)(Cl)Cl
InChI
InChI=1S/CHCl2FO3S/c2-1(3,4)8(5,6)7/h(H,5,6,7)
InChIKey
IMILTAXUBRRCKD-UHFFFAOYSA-N
Compound name
dichloro(fluoro)methanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

24
Patents

181.90074 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.908016 123.0
[M+Na]+ 204.889958 133.6
[M-H]- 180.893464 121.7
[M+NH4]+ 199.934563 143.9
[M+K]+ 220.863898 129.7
[M+H-H2O]+ 164.898000 121.2
[M+HCOO]- 226.898941 129.1
[M+CH3COO]- 240.914591 169.9
[M+Na-2H]- 202.875406 128.7
[M]+ 181.90019142 125.6
[M]- 181.90128858 125.6
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