CID 165770183

3-(fluorosulfonyl)-5-[(fluorosulfonyl)oxy]benzoic acid

Structural Information

Molecular Formula
C7H4F2O7S2
SMILES
C1=C(C=C(C=C1OS(=O)(=O)F)S(=O)(=O)F)C(=O)O
InChI
InChI=1S/C7H4F2O7S2/c8-17(12,13)6-2-4(7(10)11)1-5(3-6)16-18(9,14)15/h1-3H,(H,10,11)
InChIKey
KLNNNJIJYRYTHR-UHFFFAOYSA-N
Compound name
3-fluorosulfonyl-5-fluorosulfonyloxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.93665 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.94393 153.7
[M+Na]+ 324.92587 162.7
[M-H]- 300.92937 153.4
[M+NH4]+ 319.97047 167.8
[M+K]+ 340.89981 158.9
[M+H-H2O]+ 284.93391 146.5
[M+HCOO]- 346.93485 162.4
[M+CH3COO]- 360.95050 191.4
[M+Na-2H]- 322.91132 156.9
[M]+ 301.93610 157.0
[M]- 301.93720 157.0
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.