CID 456820

4clphso2n2ph

Structural Information

Molecular Formula

C₁₂H₁₁ClN₂O₂S

SMILES

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

InChI

InChI=1S/C12H11ClN2O2S/c13-10-6-8-12(9-7-10)18(16,17)15-14-11-4-2-1-3-5-11/h1-9,14-15H

InChIKey

AKXACQOTBMXZOH-UHFFFAOYSA-N

Compound name

4-chloro-N'-phenylbenzenesulfonohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 282.02298 Da
Monoisotopic Mass: 3.4
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]+	283.03026	158.3
[M+Na]+	305.01220	166.6
[M-H]-	281.01570	165.3
[M+NH4]+	300.05680	174.7
[M+K]+	320.98614	160.5
[M+H-H2O]+	265.02024	151.9
[M+HCOO]-	327.02118	174.8
[M+CH3COO]-	341.03683	197.4
[M+Na-2H]-	302.99765	165.0
[M]+	282.02243	160.8
[M]-	282.02353	160.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe