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

60
Patents

281.02774 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.035016 159.2
[M+Na]+ 304.016958 169.7
[M-H]- 280.020464 166.5
[M+NH4]+ 299.061563 176.4
[M+K]+ 319.990898 163.4
[M+H-H2O]+ 264.025000 153.5
[M+HCOO]- 326.025941 173.8
[M+CH3COO]- 340.041591 197.1
[M+Na-2H]- 302.002406 162.4
[M]+ 281.02719142 162.7
[M]- 281.02828858 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