CID 2331

Benzamide

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)C(=O)N

InChI

InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)

InChIKey

KXDAEFPNCMNJSK-UHFFFAOYSA-N

Compound name

benzamide

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 5351
References: 100794
Patents: 121.052765 Da
Monoisotopic Mass: 0.6
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]+	122.060041	121.6
[M+Na]+	144.041983	129.1
[M-H]-	120.045489	125.1
[M+NH4]+	139.086588	143.3
[M+K]+	160.015923	127.6
[M+H-H2O]+	104.050025	116.2
[M+HCOO]-	166.050966	146.7
[M+CH3COO]-	180.066616	171.3
[M+Na-2H]-	142.027431	129.0
[M]+	121.05221642	119.1
[M]-	121.05331358	119.1

Literature stripe

literature stripe

Patent stripe

patents stripe