CID 6863031

Benzenesulfonic acid, benzylidenehydrazide

Structural Information

Molecular Formula

C₁₃H₁₂N₂O₂S

SMILES

C1=CC=C(C=C1)/C=N/NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H12N2O2S/c16-18(17,13-9-5-2-6-10-13)15-14-11-12-7-3-1-4-8-12/h1-11,15H/b14-11+

InChIKey

YTWHIULHUQMATC-SDNWHVSQSA-N

Compound name

N-[(E)-benzylideneamino]benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 14
Patents: 260.06195 Da
Monoisotopic Mass: 2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	261.069226	155.7
[M+Na]+	283.051168	162.9
[M-H]-	259.054674	163.7
[M+NH4]+	278.095773	172.5
[M+K]+	299.025108	158.5
[M+H-H2O]+	243.059210	147.8
[M+HCOO]-	305.060151	178.2
[M+CH3COO]-	319.075801	196.5
[M+Na-2H]-	281.036616	163.4
[M]+	260.06140142	157.1
[M]-	260.06249858	157.1

Literature stripe

literature stripe

Patent stripe

patents stripe