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

162
Patents

247.0667 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.073976 152.9
[M+Na]+ 270.055918 162.0
[M-H]- 246.059424 159.9
[M+NH4]+ 265.100523 170.4
[M+K]+ 286.029858 157.2
[M+H-H2O]+ 230.063960 146.2
[M+HCOO]- 292.064901 172.1
[M+CH3COO]- 306.080551 192.2
[M+Na-2H]- 268.041366 157.3
[M]+ 247.06615142 153.9
[M]- 247.06724858 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

literature stripe

Patent stripe

patents stripe