CID 456830

42933-52-8

Structural Information

Molecular Formula

C₁₂H₁₄N₄O₄S₂

SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)S(=O)(=O)NN)S(=O)(=O)NN

InChI

InChI=1S/C12H14N4O4S2/c13-15-21(17,18)11-5-1-9(2-6-11)10-3-7-12(8-4-10)22(19,20)16-14/h1-8,15-16H,13-14H2

InChIKey

MEGPABLQKHUFKS-UHFFFAOYSA-N

Compound name

4-[4-(hydrazinesulfonyl)phenyl]benzenesulfonohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 342.04565 Da
Monoisotopic Mass: 0.0
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]+	343.052926	171.6
[M+Na]+	365.034868	177.7
[M-H]-	341.038374	176.2
[M+NH4]+	360.079473	182.8
[M+K]+	381.008808	171.1
[M+H-H2O]+	325.042910	163.3
[M+HCOO]-	387.043851	186.2
[M+CH3COO]-	401.059501	212.4
[M+Na-2H]-	363.020316	177.9
[M]+	342.04510142	169.9
[M]-	342.04619858	169.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe