CID 6076329

331460-85-6

Structural Information

Molecular Formula
C23H17ClO3
SMILES
C1=CC=C(C=C1)CC(=O)OC2=CC=C(C=C2)/C=C/C(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H17ClO3/c24-20-11-9-19(10-12-20)22(25)15-8-17-6-13-21(14-7-17)27-23(26)16-18-4-2-1-3-5-18/h1-15H,16H2/b15-8+
InChIKey
BZRFPLJDXCMXMW-OVCLIPMQSA-N
Compound name
[4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]phenyl] 2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.0866 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.09388 188.9
[M+Na]+ 399.07582 195.7
[M-H]- 375.07932 198.0
[M+NH4]+ 394.12042 200.9
[M+K]+ 415.04976 188.6
[M+H-H2O]+ 359.08386 179.8
[M+HCOO]- 421.08480 206.1
[M+CH3COO]- 435.10045 214.9
[M+Na-2H]- 397.06127 190.2
[M]+ 376.08605 192.3
[M]- 376.08715 192.3
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

No patent data available for this compound.