CID 5378271

(e)-3-(3-bromophenyl)-1-phenylprop-2-en-1-one

Structural Information

Molecular Formula
C15H11BrO
SMILES
C1=CC=C(C=C1)C(=O)/C=C/C2=CC(=CC=C2)Br
InChI
InChI=1S/C15H11BrO/c16-14-8-4-5-12(11-14)9-10-15(17)13-6-2-1-3-7-13/h1-11H/b10-9+
InChIKey
COYCXICZZVMYLE-MDZDMXLPSA-N
Compound name
(E)-3-(3-bromophenyl)-1-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

285.99933 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.00661 156.9
[M+Na]+ 308.98855 167.3
[M-H]- 284.99205 165.9
[M+NH4]+ 304.03315 176.1
[M+K]+ 324.96249 154.9
[M+H-H2O]+ 268.99659 156.3
[M+HCOO]- 330.99753 178.1
[M+CH3COO]- 345.01318 196.3
[M+Na-2H]- 306.97400 163.4
[M]+ 285.99878 174.8
[M]- 285.99988 174.8
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

patents stripe