CID 4687472

4-amino-3-fluorobenzene-1-sulfonamide

Structural Information

Molecular Formula
C6H7FN2O2S
SMILES
C1=CC(=C(C=C1S(=O)(=O)N)F)N
InChI
InChI=1S/C6H7FN2O2S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3H,8H2,(H2,9,10,11)
InChIKey
HVFBADWBKHAPKV-UHFFFAOYSA-N
Compound name
4-amino-3-fluorobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

63
References

42
Patents

190.02122 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.02850 133.5
[M+Na]+ 213.01044 143.1
[M-H]- 189.01394 135.8
[M+NH4]+ 208.05504 152.7
[M+K]+ 228.98438 139.4
[M+H-H2O]+ 173.01848 127.1
[M+HCOO]- 235.01942 152.4
[M+CH3COO]- 249.03507 182.4
[M+Na-2H]- 210.99589 137.4
[M]+ 190.02067 131.4
[M]- 190.02177 131.4
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

patents stripe