CID 3772597

565174-24-5

Structural Information

Molecular Formula
C13H13FN2O2S
SMILES
CC1=C(C=C(C=C1)N)S(=O)(=O)NC2=CC=C(C=C2)F
InChI
InChI=1S/C13H13FN2O2S/c1-9-2-5-11(15)8-13(9)19(17,18)16-12-6-3-10(14)4-7-12/h2-8,16H,15H2,1H3
InChIKey
KWOSUXSOLPIXJE-UHFFFAOYSA-N
Compound name
5-amino-N-(4-fluorophenyl)-2-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.06818 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.07546 159.0
[M+Na]+ 303.05740 168.0
[M-H]- 279.06090 164.7
[M+NH4]+ 298.10200 174.8
[M+K]+ 319.03134 162.6
[M+H-H2O]+ 263.06544 150.9
[M+HCOO]- 325.06638 177.9
[M+CH3COO]- 339.08203 201.2
[M+Na-2H]- 301.04285 162.7
[M]+ 280.06763 158.5
[M]- 280.06873 158.5
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.