CID 456822

Xylso2n2 ac deriv

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₃S

SMILES

CC1=CC(=C(C=C1)S(=O)(=O)NNC(=O)C)C

InChI

InChI=1S/C10H14N2O3S/c1-7-4-5-10(8(2)6-7)16(14,15)12-11-9(3)13/h4-6,12H,1-3H3,(H,11,13)

InChIKey

ZLKMLVGVZMOFNV-UHFFFAOYSA-N

Compound name

N'-(2,4-dimethylphenyl)sulfonylacetohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 242.07251 Da
Monoisotopic Mass: 1.1
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]+	243.079786	151.1
[M+Na]+	265.061728	158.6
[M-H]-	241.065234	155.2
[M+NH4]+	260.106333	168.6
[M+K]+	281.035668	155.8
[M+H-H2O]+	225.069770	144.7
[M+HCOO]-	287.070711	170.3
[M+CH3COO]-	301.086361	194.6
[M+Na-2H]-	263.047176	154.7
[M]+	242.07196142	153.5
[M]-	242.07305858	153.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.