CID 76080

2-aminobenzophenone

Structural Information

Molecular Formula

C₁₃H₁₁NO

SMILES

C1=CC=C(C=C1)C(=O)C2=CC=CC=C2N

InChI

InChI=1S/C13H11NO/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9H,14H2

InChIKey

MAOBFOXLCJIFLV-UHFFFAOYSA-N

Compound name

(2-aminophenyl)-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 33
References: 12404
Patents: 197.08406 Da
Monoisotopic Mass: 3.2
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]+	198.09134	142.0
[M+Na]+	220.07328	149.2
[M-H]-	196.07678	148.5
[M+NH4]+	215.11788	160.5
[M+K]+	236.04722	145.5
[M+H-H2O]+	180.08132	134.9
[M+HCOO]-	242.08226	166.6
[M+CH3COO]-	256.09791	186.4
[M+Na-2H]-	218.05873	148.1
[M]+	197.08351	139.6
[M]-	197.08461	139.6

Literature stripe

literature stripe

Patent stripe

patents stripe