CID 243378

6631-28-3

Structural Information

Molecular Formula

C₁₃H₁₂N₂O₃S

SMILES

C1=CC=C(C=C1)C(=O)NNS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H12N2O3S/c16-13(11-7-3-1-4-8-11)14-15-19(17,18)12-9-5-2-6-10-12/h1-10,15H,(H,14,16)

InChIKey

PYRRHWMYQYFFSN-UHFFFAOYSA-N

Compound name

N'-(benzenesulfonyl)benzohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 21
Patents: 276.05685 Da
Monoisotopic Mass: 2.1
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]+	277.06413	158.9
[M+Na]+	299.04607	165.1
[M-H]-	275.04957	165.5
[M+NH4]+	294.09067	174.1
[M+K]+	315.02001	160.9
[M+H-H2O]+	259.05411	151.2
[M+HCOO]-	321.05505	179.0
[M+CH3COO]-	335.07070	197.0
[M+Na-2H]-	297.03152	165.4
[M]+	276.05630	159.2
[M]-	276.05740	159.2

Literature stripe

literature stripe

Patent stripe

patents stripe