CID 3039687

51012-66-9

Structural Information

Molecular Formula
C15H13BrO
SMILES
C1=CC=C(C=C1)CC(C(=O)C2=CC=CC=C2)Br
InChI
InChI=1S/C15H13BrO/c16-14(11-12-7-3-1-4-8-12)15(17)13-9-5-2-6-10-13/h1-10,14H,11H2
InChIKey
PAYVMUYAPQRGML-UHFFFAOYSA-N
Compound name
2-bromo-1,3-diphenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

288.01498 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.02226 159.4
[M+Na]+ 311.00420 168.1
[M-H]- 287.00770 167.9
[M+NH4]+ 306.04880 178.0
[M+K]+ 326.97814 156.7
[M+H-H2O]+ 271.01224 158.5
[M+HCOO]- 333.01318 179.3
[M+CH3COO]- 347.02883 197.4
[M+Na-2H]- 308.98965 165.2
[M]+ 288.01443 176.9
[M]- 288.01553 176.9
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