CID 80147930

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

Structural Information

Molecular Formula
C11H11BrO
SMILES
C1CC1(C2=CC=CC=C2)C(=O)CBr
InChI
InChI=1S/C11H11BrO/c12-8-10(13)11(6-7-11)9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKey
LJPQWRZZAIPDQU-UHFFFAOYSA-N
Compound name
2-bromo-1-(1-phenylcyclopropyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

237.99933 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.00661 144.8
[M+Na]+ 260.98855 157.1
[M-H]- 236.99205 154.8
[M+NH4]+ 256.03315 163.2
[M+K]+ 276.96249 146.9
[M+H-H2O]+ 220.99659 145.2
[M+HCOO]- 282.99753 166.0
[M+CH3COO]- 297.01318 190.7
[M+Na-2H]- 258.97400 153.0
[M]+ 237.99878 164.8
[M]- 237.99988 164.8
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

patents stripe