CID 79522

2-acetylphenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C16H14O4
SMILES
CC(=O)C1=CC=CC=C1OC(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C16H14O4/c1-11(17)14-5-3-4-6-15(14)20-16(18)12-7-9-13(19-2)10-8-12/h3-10H,1-2H3
InChIKey
KPHKQJNWBUZGCV-UHFFFAOYSA-N
Compound name
(2-acetylphenyl) 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

8
Patents

270.0892 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.096476 159.2
[M+Na]+ 293.078418 166.6
[M-H]- 269.081924 166.2
[M+NH4]+ 288.123023 175.2
[M+K]+ 309.052358 164.5
[M+H-H2O]+ 253.086460 151.5
[M+HCOO]- 315.087401 182.2
[M+CH3COO]- 329.103051 197.9
[M+Na-2H]- 291.063866 162.4
[M]+ 270.08865142 162.8
[M]- 270.08974858 162.8
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