CID 6376009

Nsc636425

Structural Information

Molecular Formula
C21H15FO
SMILES
C1=CC=C(C=C1)/C(=C/C2=CC=C(C=C2)F)/C(=O)C3=CC=CC=C3
InChI
InChI=1S/C21H15FO/c22-19-13-11-16(12-14-19)15-20(17-7-3-1-4-8-17)21(23)18-9-5-2-6-10-18/h1-15H/b20-15-
InChIKey
JKIKWBGOHFTJEG-HKWRFOASSA-N
Compound name
(Z)-3-(4-fluorophenyl)-1,2-diphenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.1107 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.11798 171.0
[M+Na]+ 325.09992 176.8
[M-H]- 301.10342 178.7
[M+NH4]+ 320.14452 184.8
[M+K]+ 341.07386 170.4
[M+H-H2O]+ 285.10796 160.9
[M+HCOO]- 347.10890 191.7
[M+CH3COO]- 361.12455 181.5
[M+Na-2H]- 323.08537 173.8
[M]+ 302.11015 167.6
[M]- 302.11125 167.6
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.