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

11
Patents

260.06195 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.06923 155.7
[M+Na]+ 283.05117 162.9
[M-H]- 259.05467 163.7
[M+NH4]+ 278.09577 172.5
[M+K]+ 299.02511 158.5
[M+H-H2O]+ 243.05921 147.8
[M+HCOO]- 305.06015 178.2
[M+CH3COO]- 319.07580 196.5
[M+Na-2H]- 281.03662 163.4
[M]+ 260.06140 157.1
[M]- 260.06250 157.1
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