CID 67282

2-bromo-4'-phenylacetophenone

Structural Information

Molecular Formula
C14H11BrO
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CBr
InChI
InChI=1S/C14H11BrO/c15-10-14(16)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2
InChIKey
KGHGZRVXCKCJGX-UHFFFAOYSA-N
Compound name
2-bromo-1-(4-phenylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

7
References

925
Patents

273.99933 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.00661 153.6
[M+Na]+ 296.98855 164.0
[M-H]- 272.99205 162.6
[M+NH4]+ 292.03315 173.2
[M+K]+ 312.96249 152.4
[M+H-H2O]+ 256.99659 153.1
[M+HCOO]- 318.99753 174.9
[M+CH3COO]- 333.01318 194.9
[M+Na-2H]- 294.97400 160.5
[M]+ 273.99878 171.8
[M]- 273.99988 171.8
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