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]+ 245.080836 151.6
[M+Na]+ 267.062778 159.8
[M-H]- 243.066284 156.4
[M+NH4]+ 262.107383 167.7
[M+K]+ 283.036718 156.5
[M+H-H2O]+ 227.070820 144.8
[M+HCOO]- 289.071761 173.0
[M+CH3COO]- 303.087411 188.9
[M+Na-2H]- 265.048226 155.4
[M]+ 244.07301142 152.6
[M]- 244.07410858 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