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

24
Patents

237.99933 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.006606 144.8
[M+Na]+ 260.988548 157.1
[M-H]- 236.992054 154.8
[M+NH4]+ 256.033153 163.2
[M+K]+ 276.962488 146.9
[M+H-H2O]+ 220.996590 145.2
[M+HCOO]- 282.997531 166.0
[M+CH3COO]- 297.013181 190.7
[M+Na-2H]- 258.973996 153.0
[M]+ 237.99878142 164.8
[M]- 237.99987858 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