CID 706812

N-(2-benzoyl-4-chlorophenyl)methanesulfonamide

Structural Information

Molecular Formula
C14H12ClNO3S
SMILES
CS(=O)(=O)NC1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H12ClNO3S/c1-20(18,19)16-13-8-7-11(15)9-12(13)14(17)10-5-3-2-4-6-10/h2-9,16H,1H3
InChIKey
UBKLURQWFYULNC-UHFFFAOYSA-N
Compound name
N-(2-benzoyl-4-chlorophenyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

309.02264 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.02992 165.3
[M+Na]+ 332.01186 174.3
[M-H]- 308.01536 172.7
[M+NH4]+ 327.05646 181.1
[M+K]+ 347.98580 168.5
[M+H-H2O]+ 292.01990 159.1
[M+HCOO]- 354.02084 179.6
[M+CH3COO]- 368.03649 201.6
[M+Na-2H]- 329.99731 168.9
[M]+ 309.02209 169.9
[M]- 309.02319 169.9
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

No patent data available for this compound.