CID 12265000

2-hydroxy-5-phenoxybenzoic acid

Structural Information

Molecular Formula
C13H10O4
SMILES
C1=CC=C(C=C1)OC2=CC(=C(C=C2)O)C(=O)O
InChI
InChI=1S/C13H10O4/c14-12-7-6-10(8-11(12)13(15)16)17-9-4-2-1-3-5-9/h1-8,14H,(H,15,16)
InChIKey
YBZCZJNOZGZSFX-UHFFFAOYSA-N
Compound name
2-hydroxy-5-phenoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

230.0579 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.065176 147.3
[M+Na]+ 253.047118 155.1
[M-H]- 229.050624 152.0
[M+NH4]+ 248.091723 163.7
[M+K]+ 269.021058 152.0
[M+H-H2O]+ 213.055160 140.6
[M+HCOO]- 275.056101 169.1
[M+CH3COO]- 289.071751 184.6
[M+Na-2H]- 251.032566 152.5
[M]+ 230.05735142 147.6
[M]- 230.05844858 147.6
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