CID 20375359

62453-93-4

Structural Information

Molecular Formula

C₉H₁₂N₂O₂S

SMILES

C=CCS(=O)(=O)C1=CC=C(C=C1)NN

InChI

InChI=1S/C9H12N2O2S/c1-2-7-14(12,13)9-5-3-8(11-10)4-6-9/h2-6,11H,1,7,10H2

InChIKey

YDEDEABLOOFCNO-UHFFFAOYSA-N

Compound name

(4-prop-2-enylsulfonylphenyl)hydrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 212.06195 Da
Monoisotopic Mass: 1.0
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]+	213.069226	143.7
[M+Na]+	235.051168	151.4
[M-H]-	211.054674	147.1
[M+NH4]+	230.095773	162.0
[M+K]+	251.025108	147.2
[M+H-H2O]+	195.059210	137.5
[M+HCOO]-	257.060151	163.6
[M+CH3COO]-	271.075801	187.3
[M+Na-2H]-	233.036616	148.4
[M]+	212.06140142	143.7
[M]-	212.06249858	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe