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

28
Patents

230.0579 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.06518 147.3
[M+Na]+ 253.04712 155.1
[M-H]- 229.05062 152.0
[M+NH4]+ 248.09172 163.7
[M+K]+ 269.02106 152.0
[M+H-H2O]+ 213.05516 140.6
[M+HCOO]- 275.05610 169.1
[M+CH3COO]- 289.07175 184.6
[M+Na-2H]- 251.03257 152.5
[M]+ 230.05735 147.6
[M]- 230.05845 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