CID 81439

Benzamide, n-[(4-methylphenyl)sulfonyl]-

Structural Information

Molecular Formula
C14H13NO3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H13NO3S/c1-11-7-9-13(10-8-11)19(17,18)15-14(16)12-5-3-2-4-6-12/h2-10H,1H3,(H,15,16)
InChIKey
SGJFNRQZMRIAJP-UHFFFAOYSA-N
Compound name
N-(4-methylphenyl)sulfonylbenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

69
Patents

275.0616 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.06888 160.0
[M+Na]+ 298.05082 167.5
[M-H]- 274.05432 167.0
[M+NH4]+ 293.09542 175.9
[M+K]+ 314.02476 163.3
[M+H-H2O]+ 258.05886 152.7
[M+HCOO]- 320.05980 178.8
[M+CH3COO]- 334.07545 196.1
[M+Na-2H]- 296.03627 164.6
[M]+ 275.06105 161.8
[M]- 275.06215 161.8
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