CID 53220848

4-(4-carboxyphenyl)-2-methoxyphenol

Structural Information

Molecular Formula
C14H12O4
SMILES
COC1=C(C=CC(=C1)C2=CC=C(C=C2)C(=O)O)O
InChI
InChI=1S/C14H12O4/c1-18-13-8-11(6-7-12(13)15)9-2-4-10(5-3-9)14(16)17/h2-8,15H,1H3,(H,16,17)
InChIKey
PIPNZBIJJWCSCS-UHFFFAOYSA-N
Compound name
4-(4-hydroxy-3-methoxyphenyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.07356 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.08084 151.6
[M+Na]+ 267.06278 159.8
[M-H]- 243.06628 156.4
[M+NH4]+ 262.10738 167.7
[M+K]+ 283.03672 156.5
[M+H-H2O]+ 227.07082 144.8
[M+HCOO]- 289.07176 173.0
[M+CH3COO]- 303.08741 188.9
[M+Na-2H]- 265.04823 155.4
[M]+ 244.07301 152.6
[M]- 244.07411 152.6
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