CID 2755675

3157-65-1

Structural Information

Molecular Formula
C14H12ClNO2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N=CC2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H12ClNO2S/c1-11-2-8-14(9-3-11)19(17,18)16-10-12-4-6-13(15)7-5-12/h2-10H,1H3
InChIKey
LKDZCWUUTSGZNH-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)methylidene]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

293.02774 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.03502 163.1
[M+Na]+ 316.01696 173.3
[M-H]- 292.02046 171.9
[M+NH4]+ 311.06156 180.6
[M+K]+ 331.99090 167.2
[M+H-H2O]+ 276.02500 156.7
[M+HCOO]- 338.02594 179.7
[M+CH3COO]- 352.04159 200.5
[M+Na-2H]- 314.00241 167.9
[M]+ 293.02719 168.6
[M]- 293.02829 168.6
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