CID 2737516

1717-59-5

Structural Information

Molecular Formula
C2HF3O4S
SMILES
C(=O)(C(F)(F)S(=O)(=O)F)O
InChI
InChI=1S/C2HF3O4S/c3-2(4,1(6)7)10(5,8)9/h(H,6,7)
InChIKey
VYDQUABHDFWIIX-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-fluorosulfonylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3376
Patents

177.95476 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.96204 123.6
[M+Na]+ 200.94398 132.8
[M-H]- 176.94748 119.4
[M+NH4]+ 195.98858 143.0
[M+K]+ 216.91792 131.5
[M+H-H2O]+ 160.95202 117.5
[M+HCOO]- 222.95296 135.9
[M+CH3COO]- 236.96861 171.5
[M+Na-2H]- 198.92943 127.8
[M]+ 177.95421 121.8
[M]- 177.95531 121.8
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