CID 19755145

Ethyl 4-(hydrazinesulfonyl)benzoate

Structural Information

Molecular Formula

C₉H₁₂N₂O₄S

SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NN

InChI

InChI=1S/C9H12N2O4S/c1-2-15-9(12)7-3-5-8(6-4-7)16(13,14)11-10/h3-6,11H,2,10H2,1H3

InChIKey

QHEKOEKOWFGCLH-UHFFFAOYSA-N

Compound name

ethyl 4-(hydrazinesulfonyl)benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 244.05177 Da
Monoisotopic Mass: 0.9
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]+	245.05905	151.6
[M+Na]+	267.04099	159.8
[M+NH4]+	262.08559	157.3
[M+K]+	283.01493	154.8
[M-H]-	243.04449	151.7
[M+Na-2H]-	265.02644	155.6
[M]+	244.05122	152.8
[M]-	244.05232	152.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe