CID 162345131

Ns00133060

Structural Information

Molecular Formula

C₁₆H₁₄ClNO₃

SMILES

CC(=O)N(CO)C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H14ClNO3/c1-11(20)18(10-19)15-8-7-13(17)9-14(15)16(21)12-5-3-2-4-6-12/h2-9,19H,10H2,1H3

InChIKey

FPHFTLXHNTZRNL-UHFFFAOYSA-N

Compound name

N-(2-benzoyl-4-chlorophenyl)-N-(hydroxymethyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 303.06622 Da
Monoisotopic Mass: 2.7
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	173.6
[M-H]-	302.058944	173.3
[M+NH4]+	321.100043	181.7
[M+K]+	342.029378	169.6
[M+H-H2O]+	286.063480	159.6
[M+HCOO]-	348.064421	184.8
[M+CH3COO]-	362.080071	205.4
[M+Na-2H]-	324.040886	168.5
[M]+	303.06567142	169.7
[M]-	303.06676858	169.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.