CID 79187098

2-fluoro-4-(hydroxymethyl)benzene-1-sulfonamide

Structural Information

Molecular Formula
C7H8FNO3S
SMILES
C1=CC(=C(C=C1CO)F)S(=O)(=O)N
InChI
InChI=1S/C7H8FNO3S/c8-6-3-5(4-10)1-2-7(6)13(9,11)12/h1-3,10H,4H2,(H2,9,11,12)
InChIKey
TVFXNSMAPPHQOA-UHFFFAOYSA-N
Compound name
2-fluoro-4-(hydroxymethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.02089 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.028166 137.4
[M+Na]+ 228.010108 146.7
[M-H]- 204.013614 138.6
[M+NH4]+ 223.054713 155.8
[M+K]+ 243.984048 143.0
[M+H-H2O]+ 188.018150 131.2
[M+HCOO]- 250.019091 154.4
[M+CH3COO]- 264.034741 180.6
[M+Na-2H]- 225.995556 141.0
[M]+ 205.02034142 137.0
[M]- 205.02143858 137.0
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.