CID 2134372

N-(2-chloro-1-(toluene-4-sulfonyl)-vinyl)-benzamide

Structural Information

Molecular Formula
C16H14ClNO3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)/C(=C/Cl)/NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C16H14ClNO3S/c1-12-7-9-14(10-8-12)22(20,21)15(11-17)18-16(19)13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19)/b15-11+
InChIKey
HEHYAHMUZJUXCA-RVDMUPIBSA-N
Compound name
N-[(E)-2-chloro-1-(4-methylphenyl)sulfonylethenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

335.0383 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.04558 173.7
[M+Na]+ 358.02752 181.0
[M-H]- 334.03102 180.5
[M+NH4]+ 353.07212 188.1
[M+K]+ 374.00146 174.8
[M+H-H2O]+ 318.03556 167.2
[M+HCOO]- 380.03650 186.6
[M+CH3COO]- 394.05215 205.1
[M+Na-2H]- 356.01297 176.0
[M]+ 335.03775 177.2
[M]- 335.03885 177.2
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.