CID 119031265

2-bromo-1-(1-phenylcyclopropyl)propan-1-one

Structural Information

Molecular Formula
C12H13BrO
SMILES
CC(C(=O)C1(CC1)C2=CC=CC=C2)Br
InChI
InChI=1S/C12H13BrO/c1-9(13)11(14)12(7-8-12)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChIKey
OGHIKZZIKLEPHX-UHFFFAOYSA-N
Compound name
2-bromo-1-(1-phenylcyclopropyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.01498 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.02226 148.7
[M+Na]+ 275.00420 160.4
[M-H]- 251.00770 158.6
[M+NH4]+ 270.04880 166.5
[M+K]+ 290.97814 150.3
[M+H-H2O]+ 235.01224 149.1
[M+HCOO]- 297.01318 168.7
[M+CH3COO]- 311.02883 194.1
[M+Na-2H]- 272.98965 155.4
[M]+ 252.01443 168.5
[M]- 252.01553 168.5
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.