CID 146708

21849-92-3

Structural Information

Molecular Formula

C₁₂H₁₁NO

SMILES

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

InChI

InChI=1S/C12H11NO/c13-10-7-5-9(6-8-10)11-3-1-2-4-12(11)14/h1-8,14H,13H2

InChIKey

JMYPKNRKMHLPKS-UHFFFAOYSA-N

Compound name

2-(4-aminophenyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 268
Patents: 185.08406 Da
Monoisotopic Mass: 2.4
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]+	186.09134	138.3
[M+Na]+	208.07328	146.5
[M-H]-	184.07678	143.9
[M+NH4]+	203.11788	157.1
[M+K]+	224.04722	142.3
[M+H-H2O]+	168.08132	131.8
[M+HCOO]-	230.08226	162.6
[M+CH3COO]-	244.09791	182.0
[M+Na-2H]-	206.05873	145.0
[M]+	185.08351	135.4
[M]-	185.08461	135.4

Literature stripe

literature stripe

Patent stripe

patents stripe