CID 15124193

3324-01-4

Structural Information

Molecular Formula
C7H5FO5S
SMILES
C1=CC(=C(C=C1S(=O)(=O)F)O)C(=O)O
InChI
InChI=1S/C7H5FO5S/c8-14(12,13)4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,(H,10,11)
InChIKey
ZMVAMTPOVVNKFU-UHFFFAOYSA-N
Compound name
4-fluorosulfonyl-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.98418 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.99146 138.0
[M+Na]+ 242.97340 147.4
[M-H]- 218.97690 138.5
[M+NH4]+ 238.01800 155.4
[M+K]+ 258.94734 144.4
[M+H-H2O]+ 202.98144 132.3
[M+HCOO]- 264.98238 152.8
[M+CH3COO]- 278.99803 178.2
[M+Na-2H]- 240.95885 141.1
[M]+ 219.98363 139.1
[M]- 219.98473 139.1
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

patents stripe