CID 6290176

Nsc689964

Structural Information

Molecular Formula
C24H17ClO3
SMILES
C1=CC=C(C=C1)/C=C/C(=O)OC2=CC=C(C=C2)C(=O)/C=C/C3=CC=C(C=C3)Cl
InChI
InChI=1S/C24H17ClO3/c25-21-12-6-19(7-13-21)8-16-23(26)20-10-14-22(15-11-20)28-24(27)17-9-18-4-2-1-3-5-18/h1-17H/b16-8+,17-9+
InChIKey
USUVUSDICXDFMW-GONBZBRSSA-N
Compound name
[4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]phenyl] (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

388.0866 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.09388 192.8
[M+Na]+ 411.07582 199.5
[M-H]- 387.07932 201.7
[M+NH4]+ 406.12042 204.2
[M+K]+ 427.04976 191.6
[M+H-H2O]+ 371.08386 183.5
[M+HCOO]- 433.08480 209.8
[M+CH3COO]- 447.10045 216.4
[M+Na-2H]- 409.06127 193.5
[M]+ 388.08605 195.7
[M]- 388.08715 195.7
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

No patent data available for this compound.