CID 520995

2,4-dihydroxy-4'-methylbenzophenone

Structural Information

Molecular Formula
C14H12O3
SMILES
CC1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)O)O
InChI
InChI=1S/C14H12O3/c1-9-2-4-10(5-3-9)14(17)12-7-6-11(15)8-13(12)16/h2-8,15-16H,1H3
InChIKey
FGCATPMSNCVLQK-UHFFFAOYSA-N
Compound name
(2,4-dihydroxyphenyl)-(4-methylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

228.07864 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.085916 148.4
[M+Na]+ 251.067858 156.8
[M-H]- 227.071364 153.3
[M+NH4]+ 246.112463 165.3
[M+K]+ 267.041798 152.9
[M+H-H2O]+ 211.075900 142.0
[M+HCOO]- 273.076841 169.7
[M+CH3COO]- 287.092491 186.7
[M+Na-2H]- 249.053306 152.3
[M]+ 228.07809142 148.0
[M]- 228.07918858 148.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe