CID 2783479

Propanedioic acid, diphenyl ester

Structural Information

Molecular Formula
C15H12O4
SMILES
C1=CC=C(C=C1)OC(=O)CC(=O)OC2=CC=CC=C2
InChI
InChI=1S/C15H12O4/c16-14(18-12-7-3-1-4-8-12)11-15(17)19-13-9-5-2-6-10-13/h1-10H,11H2
InChIKey
HCWOVPZEAFLXPL-UHFFFAOYSA-N
Compound name
diphenyl propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2921
Patents

256.07355 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.08083 156.2
[M+Na]+ 279.06277 162.2
[M-H]- 255.06627 162.6
[M+NH4]+ 274.10737 172.2
[M+K]+ 295.03671 160.2
[M+H-H2O]+ 239.07081 148.2
[M+HCOO]- 301.07175 179.5
[M+CH3COO]- 315.08740 191.9
[M+Na-2H]- 277.04822 161.3
[M]+ 256.07300 158.4
[M]- 256.07410 158.4
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