CID 1490289

Methyl 4'-hydroxy[1,1'-biphenyl]-4-carboxylate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

318
Patents

228.07864 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.08592 148.6
[M+Na]+ 251.06786 156.7
[M-H]- 227.07136 154.6
[M+NH4]+ 246.11246 166.0
[M+K]+ 267.04180 153.6
[M+H-H2O]+ 211.07590 141.7
[M+HCOO]- 273.07684 171.4
[M+CH3COO]- 287.09249 187.2
[M+Na-2H]- 249.05331 153.7
[M]+ 228.07809 149.6
[M]- 228.07919 149.6
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