CID 6374940

125105-17-1

Structural Information

Molecular Formula
C18H16O3
SMILES
CCOC(=O)/C(=C\C1=CC=CC=C1)/C(=O)C2=CC=CC=C2
InChI
InChI=1S/C18H16O3/c1-2-21-18(20)16(13-14-9-5-3-6-10-14)17(19)15-11-7-4-8-12-15/h3-13H,2H2,1H3/b16-13-
InChIKey
BHKXLHNAIARBLO-SSZFMOIBSA-N
Compound name
ethyl (Z)-2-benzoyl-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

280.10995 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.11723 165.7
[M+Na]+ 303.09917 170.6
[M-H]- 279.10267 171.7
[M+NH4]+ 298.14377 180.7
[M+K]+ 319.07311 167.1
[M+H-H2O]+ 263.10721 157.6
[M+HCOO]- 325.10815 187.0
[M+CH3COO]- 339.12380 198.9
[M+Na-2H]- 301.08462 168.0
[M]+ 280.10940 166.3
[M]- 280.11050 166.3
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