CID 205663

Benzanilide, 4'-chloro-4-(isopropylsulfonyl)-

Structural Information

Molecular Formula
C16H16ClNO3S
SMILES
CC(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H16ClNO3S/c1-11(2)22(20,21)15-9-3-12(4-10-15)16(19)18-14-7-5-13(17)6-8-14/h3-11H,1-2H3,(H,18,19)
InChIKey
FUNJXQBHPFBKJT-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-4-propan-2-ylsulfonylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.05396 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.061236 173.6
[M+Na]+ 360.043178 181.4
[M-H]- 336.046684 180.7
[M+NH4]+ 355.087783 188.2
[M+K]+ 376.017118 175.8
[M+H-H2O]+ 320.051220 167.2
[M+HCOO]- 382.052161 186.2
[M+CH3COO]- 396.067811 207.8
[M+Na-2H]- 358.028626 175.3
[M]+ 337.05341142 178.3
[M]- 337.05450858 178.3
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.