CID 67998

4-(fluorosulfonyl)benzoic acid

Structural Information

Molecular Formula
C7H5FO4S
SMILES
C1=CC(=CC=C1C(=O)O)S(=O)(=O)F
InChI
InChI=1S/C7H5FO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
InChIKey
DJUJJHDCOUPERR-UHFFFAOYSA-N
Compound name
4-fluorosulfonylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

173
Patents

203.98926 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.99654 135.3
[M+Na]+ 226.97848 144.6
[M-H]- 202.98198 137.0
[M+NH4]+ 222.02308 154.0
[M+K]+ 242.95242 141.9
[M+H-H2O]+ 186.98652 129.4
[M+HCOO]- 248.98746 151.5
[M+CH3COO]- 263.00311 177.2
[M+Na-2H]- 224.96393 139.3
[M]+ 203.98871 136.5
[M]- 203.98981 136.5
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