CID 578713

Methyl 2-(4-hydroxybenzoyl)benzoate

Structural Information

Molecular Formula
C15H12O4
SMILES
COC(=O)C1=CC=CC=C1C(=O)C2=CC=C(C=C2)O
InChI
InChI=1S/C15H12O4/c1-19-15(18)13-5-3-2-4-12(13)14(17)10-6-8-11(16)9-7-10/h2-9,16H,1H3
InChIKey
IKMDAJBBMNDKJY-UHFFFAOYSA-N
Compound name
methyl 2-(4-hydroxybenzoyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

256.07355 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.08083 155.0
[M+Na]+ 279.06277 162.4
[M-H]- 255.06627 160.8
[M+NH4]+ 274.10737 170.9
[M+K]+ 295.03671 159.7
[M+H-H2O]+ 239.07081 147.8
[M+HCOO]- 301.07175 176.8
[M+CH3COO]- 315.08740 192.5
[M+Na-2H]- 277.04822 158.3
[M]+ 256.07300 156.4
[M]- 256.07410 156.4
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