CID 6392017

Nsc636429

Structural Information

Molecular Formula
C21H15BrO
SMILES
C1=CC=C(C=C1)/C(=C/C2=CC=C(C=C2)Br)/C(=O)C3=CC=CC=C3
InChI
InChI=1S/C21H15BrO/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
WQNNOPQBZXKJGU-HKWRFOASSA-N
Compound name
(Z)-3-(4-bromophenyl)-1,2-diphenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.03064 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.03792 180.1
[M+Na]+ 385.01986 188.3
[M-H]- 361.02336 191.1
[M+NH4]+ 380.06446 195.3
[M+K]+ 400.99380 175.3
[M+H-H2O]+ 345.02790 178.0
[M+HCOO]- 407.02884 199.3
[M+CH3COO]- 421.04449 192.1
[M+Na-2H]- 383.00531 184.1
[M]+ 362.03009 196.5
[M]- 362.03119 196.5
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.