CID 14347

4-hydroxybenzophenone

Structural Information

Molecular Formula
C13H10O2
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)O
InChI
InChI=1S/C13H10O2/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,14H
InChIKey
NPFYZDNDJHZQKY-UHFFFAOYSA-N
Compound name
(4-hydroxyphenyl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

51
References

13174
Patents

198.06808 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.075356 140.9
[M+Na]+ 221.057298 148.5
[M-H]- 197.060804 146.6
[M+NH4]+ 216.101903 159.2
[M+K]+ 237.031238 144.9
[M+H-H2O]+ 181.065340 134.3
[M+HCOO]- 243.066281 163.9
[M+CH3COO]- 257.081931 181.7
[M+Na-2H]- 219.042746 147.2
[M]+ 198.06753142 139.7
[M]- 198.06862858 139.7
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