CID 231963

2-(4-methoxybenzoyl)benzoic acid

Structural Information

Molecular Formula
C15H12O4
SMILES
COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O
InChI
InChI=1S/C15H12O4/c1-19-11-8-6-10(7-9-11)14(16)12-4-2-3-5-13(12)15(17)18/h2-9H,1H3,(H,17,18)
InChIKey
UIUCGMLLTRXRBF-UHFFFAOYSA-N
Compound name
2-(4-methoxybenzoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

205
Patents

256.07355 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.08083 154.8
[M+Na]+ 279.06277 162.1
[M-H]- 255.06627 160.5
[M+NH4]+ 274.10737 170.6
[M+K]+ 295.03671 159.3
[M+H-H2O]+ 239.07081 147.5
[M+HCOO]- 301.07175 176.6
[M+CH3COO]- 315.08740 193.1
[M+Na-2H]- 277.04822 158.1
[M]+ 256.07300 156.2
[M]- 256.07410 156.2
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