CID 112364

Benzenamine, 5-chloro-2-[(4-methylphenyl)sulfonyl]-

Structural Information

Molecular Formula
C13H12ClNO2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)Cl)N
InChI
InChI=1S/C13H12ClNO2S/c1-9-2-5-11(6-3-9)18(16,17)13-7-4-10(14)8-12(13)15/h2-8H,15H2,1H3
InChIKey
YDSSEPWFAJNLSK-UHFFFAOYSA-N
Compound name
5-chloro-2-(4-methylphenyl)sulfonylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

281.02774 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.03502 159.2
[M+Na]+ 304.01696 169.7
[M-H]- 280.02046 166.5
[M+NH4]+ 299.06156 176.4
[M+K]+ 319.99090 163.4
[M+H-H2O]+ 264.02500 153.5
[M+HCOO]- 326.02594 173.8
[M+CH3COO]- 340.04159 197.1
[M+Na-2H]- 302.00241 162.4
[M]+ 281.02719 162.7
[M]- 281.02829 162.7
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

patents stripe