CID 79001936

3-fluoro-4-hydroxybenzene-1-sulfonamide

Structural Information

Molecular Formula
C6H6FNO3S
SMILES
C1=CC(=C(C=C1S(=O)(=O)N)F)O
InChI
InChI=1S/C6H6FNO3S/c7-5-3-4(12(8,10)11)1-2-6(5)9/h1-3,9H,(H2,8,10,11)
InChIKey
PLRUFMILEHPVPP-UHFFFAOYSA-N
Compound name
3-fluoro-4-hydroxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.00525 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.012526 132.9
[M+Na]+ 213.994468 142.7
[M-H]- 189.997974 134.3
[M+NH4]+ 209.039073 151.9
[M+K]+ 229.968408 139.2
[M+H-H2O]+ 174.002510 127.0
[M+HCOO]- 236.003451 150.2
[M+CH3COO]- 250.019101 177.6
[M+Na-2H]- 211.979916 137.0
[M]+ 191.00470142 132.1
[M]- 191.00579858 132.1
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

No patent data available for this compound.