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]+ 206.02817 137.4
[M+Na]+ 228.01011 146.7
[M-H]- 204.01361 138.6
[M+NH4]+ 223.05471 155.8
[M+K]+ 243.98405 143.0
[M+H-H2O]+ 188.01815 131.2
[M+HCOO]- 250.01909 154.4
[M+CH3COO]- 264.03474 180.6
[M+Na-2H]- 225.99556 141.0
[M]+ 205.02034 137.0
[M]- 205.02144 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.