CID 2759549

38087-96-6

Structural Information

Molecular Formula
C14H12O3
SMILES
COC1=CC=CC(=C1)C2=CC=CC=C2C(=O)O
InChI
InChI=1S/C14H12O3/c1-17-11-6-4-5-10(9-11)12-7-2-3-8-13(12)14(15)16/h2-9H,1H3,(H,15,16)
InChIKey
RTAAHOXEHROLKE-UHFFFAOYSA-N
Compound name
2-(3-methoxyphenyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

228.07864 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.085916 148.4
[M+Na]+ 251.067858 156.3
[M-H]- 227.071364 154.3
[M+NH4]+ 246.112463 165.7
[M+K]+ 267.041798 153.2
[M+H-H2O]+ 211.075900 141.5
[M+HCOO]- 273.076841 171.2
[M+CH3COO]- 287.092491 187.9
[M+Na-2H]- 249.053306 153.5
[M]+ 228.07809142 149.4
[M]- 228.07918858 149.4
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