CID 16215424

4-methyl-2-phenylbenzene-1-sulfonamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

247.0667 Da
Monoisotopic Mass

2.5
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

No literature data available for this compound.

Patent stripe

patents stripe