CID 363136

4-[(4-methylphenyl)sulfonyl]aniline

Structural Information

Molecular Formula
C13H13NO2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C13H13NO2S/c1-10-2-6-12(7-3-10)17(15,16)13-8-4-11(14)5-9-13/h2-9H,14H2,1H3
InChIKey
NUOSUXKIGQANEH-UHFFFAOYSA-N
Compound name
4-(4-methylphenyl)sulfonylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

138
Patents

247.0667 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.07398 152.9
[M+Na]+ 270.05592 162.0
[M-H]- 246.05942 159.9
[M+NH4]+ 265.10052 170.4
[M+K]+ 286.02986 157.2
[M+H-H2O]+ 230.06396 146.2
[M+HCOO]- 292.06490 172.1
[M+CH3COO]- 306.08055 192.2
[M+Na-2H]- 268.04137 157.3
[M]+ 247.06615 153.9
[M]- 247.06725 153.9
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.