CID 12427523

Ns00133058

Structural Information

Molecular Formula

C₁₆H₁₄ClNO₃

SMILES

CN(C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C16H14ClNO3/c1-18(16(20)21-2)14-9-8-12(17)10-13(14)15(19)11-6-4-3-5-7-11/h3-10H,1-2H3

InChIKey

IPIZVUAQQTUTOM-UHFFFAOYSA-N

Compound name

methyl N-(2-benzoyl-4-chlorophenyl)-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 303.06622 Da
Monoisotopic Mass: 3.7
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]+	304.073496	166.5
[M+Na]+	326.055438	174.2
[M-H]-	302.058944	174.8
[M+NH4]+	321.100043	182.6
[M+K]+	342.029378	171.0
[M+H-H2O]+	286.063480	159.3
[M+HCOO]-	348.064421	186.3
[M+CH3COO]-	362.080071	207.2
[M+Na-2H]-	324.040886	168.9
[M]+	303.06567142	171.5
[M]-	303.06676858	171.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.