CID 67992

3-(fluorosulfonyl)benzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

106
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 139.8
[M+Na]+ 226.97848 149.7
[M+NH4]+ 222.02308 145.8
[M+K]+ 242.95242 144.4
[M-H]- 202.98198 137.6
[M+Na-2H]- 224.96393 143.7
[M]+ 203.98871 140.7
[M]- 203.98981 140.7
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

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