CID 2758407

728919-16-2

Structural Information

Molecular Formula
C15H14O4
SMILES
COC1=CC(=C(C=C1)C2=CC(=CC=C2)C(=O)O)OC
InChI
InChI=1S/C15H14O4/c1-18-12-6-7-13(14(9-12)19-2)10-4-3-5-11(8-10)15(16)17/h3-9H,1-2H3,(H,16,17)
InChIKey
QZFMGHVOUAXVGA-UHFFFAOYSA-N
Compound name
3-(2,4-dimethoxyphenyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

258.0892 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.09648 155.7
[M+Na]+ 281.07842 163.9
[M-H]- 257.08192 161.7
[M+NH4]+ 276.12302 171.9
[M+K]+ 297.05236 161.3
[M+H-H2O]+ 241.08646 148.4
[M+HCOO]- 303.08740 178.3
[M+CH3COO]- 317.10305 194.3
[M+Na-2H]- 279.06387 159.5
[M]+ 258.08865 158.9
[M]- 258.08975 158.9
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