CID 2134372

Smr000236677

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 174.6
[M+Na]+ 358.02752 187.0
[M+NH4]+ 353.07212 181.6
[M+K]+ 374.00146 178.6
[M-H]- 334.03102 177.5
[M+Na-2H]- 356.01297 182.1
[M]+ 335.03775 177.9
[M]- 335.03885 177.9
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.