CID 9348

3-phenylsalicylic acid

Structural Information

Molecular Formula
C13H10O3
SMILES
C1=CC=C(C=C1)C2=C(C(=CC=C2)C(=O)O)O
InChI
InChI=1S/C13H10O3/c14-12-10(9-5-2-1-3-6-9)7-4-8-11(12)13(15)16/h1-8,14H,(H,15,16)
InChIKey
ZJWUEJOPKFYFQD-UHFFFAOYSA-N
Compound name
2-hydroxy-3-phenylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

5879
Patents

214.06299 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.07027 144.3
[M+Na]+ 237.05221 152.2
[M-H]- 213.05571 148.9
[M+NH4]+ 232.09681 161.4
[M+K]+ 253.02615 148.4
[M+H-H2O]+ 197.06025 137.8
[M+HCOO]- 259.06119 165.9
[M+CH3COO]- 273.07684 182.4
[M+Na-2H]- 235.03766 149.4
[M]+ 214.06244 143.1
[M]- 214.06354 143.1
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