CID 577825

4-(4-aminobenzoyl)phenol

Structural Information

Molecular Formula
C13H11NO2
SMILES
C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)O)N
InChI
InChI=1S/C13H11NO2/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,15H,14H2
InChIKey
ZLUJJCPTVKQVDE-UHFFFAOYSA-N
Compound name
(4-aminophenyl)-(4-hydroxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

196
Patents

213.07898 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.086256 145.5
[M+Na]+ 236.068198 153.1
[M-H]- 212.071704 151.0
[M+NH4]+ 231.112803 162.9
[M+K]+ 252.042138 149.2
[M+H-H2O]+ 196.076240 138.7
[M+HCOO]- 258.077181 168.8
[M+CH3COO]- 272.092831 187.2
[M+Na-2H]- 234.053646 150.4
[M]+ 213.07843142 143.1
[M]- 213.07952858 143.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe