CID 1133319

N-(2-aminophenyl)-4-fluorobenzene-1-sulfonamide

Structural Information

Molecular Formula
C12H11FN2O2S
SMILES
C1=CC=C(C(=C1)N)NS(=O)(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C12H11FN2O2S/c13-9-5-7-10(8-6-9)18(16,17)15-12-4-2-1-3-11(12)14/h1-8,15H,14H2
InChIKey
JNMXTMNGVYNSPE-UHFFFAOYSA-N
Compound name
N-(2-aminophenyl)-4-fluorobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

266.05252 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.059796 154.4
[M+Na]+ 289.041738 163.0
[M-H]- 265.045244 159.9
[M+NH4]+ 284.086343 170.5
[M+K]+ 305.015678 157.7
[M+H-H2O]+ 249.049780 146.3
[M+HCOO]- 311.050721 173.7
[M+CH3COO]- 325.066371 197.0
[M+Na-2H]- 287.027186 159.3
[M]+ 266.05197142 153.2
[M]- 266.05306858 153.2
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