CID 11042107

4-(methylsulfonyl)benzohydrazide

Structural Information

Molecular Formula

C₈H₁₀N₂O₃S

SMILES

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

InChI

InChI=1S/C8H10N2O3S/c1-14(12,13)7-4-2-6(3-5-7)8(11)10-9/h2-5H,9H2,1H3,(H,10,11)

InChIKey

QAKUWIZIFUAMIV-UHFFFAOYSA-N

Compound name

4-methylsulfonylbenzohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 68
Patents: 214.04121 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]+	215.04849	142.9
[M+Na]+	237.03043	150.6
[M-H]-	213.03393	146.5
[M+NH4]+	232.07503	161.1
[M+K]+	253.00437	147.8
[M+H-H2O]+	197.03847	136.8
[M+HCOO]-	259.03941	162.3
[M+CH3COO]-	273.05506	186.7
[M+Na-2H]-	235.01588	147.1
[M]+	214.04066	143.3
[M]-	214.04176	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe