CID 111282

2-butenedioic acid (2z)-, diphenyl ester

Structural Information

Molecular Formula
C16H12O4
SMILES
C1=CC=C(C=C1)OC(=O)C=CC(=O)OC2=CC=CC=C2
InChI
InChI=1S/C16H12O4/c17-15(19-13-7-3-1-4-8-13)11-12-16(18)20-14-9-5-2-6-10-14/h1-12H
InChIKey
WTIFDVLCDRBEJK-UHFFFAOYSA-N
Compound name
diphenyl but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3085
Patents

268.07355 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08083 159.9
[M+Na]+ 291.06277 165.8
[M-H]- 267.06627 166.1
[M+NH4]+ 286.10737 175.4
[M+K]+ 307.03671 163.0
[M+H-H2O]+ 251.07081 151.8
[M+HCOO]- 313.07175 183.0
[M+CH3COO]- 327.08740 193.5
[M+Na-2H]- 289.04822 164.4
[M]+ 268.07300 161.7
[M]- 268.07410 161.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe