CID 2063483

4-ethoxybenzene-1-sulfonohydrazide

Structural Information

Molecular Formula

C₈H₁₂N₂O₃S

SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NN

InChI

InChI=1S/C8H12N2O3S/c1-2-13-7-3-5-8(6-4-7)14(11,12)10-9/h3-6,10H,2,9H2,1H3

InChIKey

YAFWZZVGGJCNRK-UHFFFAOYSA-N

Compound name

4-ethoxybenzenesulfonohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 7
Patents: 216.05687 Da
Monoisotopic Mass: 0.2
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]+	217.06415	143.2
[M+Na]+	239.04609	150.8
[M-H]-	215.04959	146.6
[M+NH4]+	234.09069	161.3
[M+K]+	255.02003	148.0
[M+H-H2O]+	199.05413	136.9
[M+HCOO]-	261.05507	163.4
[M+CH3COO]-	275.07072	187.4
[M+Na-2H]-	237.03154	148.5
[M]+	216.05632	144.9
[M]-	216.05742	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe