CID 140888

Methyl 3-chloro-4-methylcarbanilate

Structural Information

Molecular Formula

C₉H₁₀ClNO₂

SMILES

CC1=C(C=C(C=C1)NC(=O)OC)Cl

InChI

InChI=1S/C9H10ClNO2/c1-6-3-4-7(5-8(6)10)11-9(12)13-2/h3-5H,1-2H3,(H,11,12)

InChIKey

QURFKMPDWGGSOK-UHFFFAOYSA-N

Compound name

methyl N-(3-chloro-4-methylphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 199.04001 Da
Monoisotopic Mass: 3.1
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]+	200.04729	139.1
[M+Na]+	222.02923	152.2
[M+NH4]+	217.07383	147.6
[M+K]+	238.00317	145.8
[M-H]-	198.03273	141.5
[M+Na-2H]-	220.01468	145.9
[M]+	199.03946	141.9
[M]-	199.04056	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe