CID 4330388

4-formyl-2-methoxyphenyl benzoate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

256.07355 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.080826 154.7
[M+Na]+ 279.062768 162.8
[M-H]- 255.066274 161.8
[M+NH4]+ 274.107373 171.4
[M+K]+ 295.036708 160.4
[M+H-H2O]+ 239.070810 147.0
[M+HCOO]- 301.071751 179.0
[M+CH3COO]- 315.087401 194.1
[M+Na-2H]- 277.048216 159.7
[M]+ 256.07300142 158.5
[M]- 256.07409858 158.5
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