CID 54273185

Ns00133048

Structural Information

Molecular Formula

C₁₅H₁₂ClNO₃

SMILES

COC(=O)NC1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H12ClNO3/c1-20-15(19)17-13-8-7-11(16)9-12(13)14(18)10-5-3-2-4-6-10/h2-9H,1H3,(H,17,19)

InChIKey

RLPHGTPFVMEJIR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 289.05057 Da
Monoisotopic Mass: 4.0
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]+	290.057846	162.5
[M+Na]+	312.039788	170.5
[M-H]-	288.043294	169.5
[M+NH4]+	307.084393	178.5
[M+K]+	328.013728	166.1
[M+H-H2O]+	272.047830	155.7
[M+HCOO]-	334.048771	182.2
[M+CH3COO]-	348.064421	200.9
[M+Na-2H]-	310.025236	166.2
[M]+	289.05002142	165.9
[M]-	289.05111858	165.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe