CID 12311590

62608-41-7

Structural Information

Molecular Formula
C11H11BrO
SMILES
C1[C@H]([C@@H]1C(=O)CBr)C2=CC=CC=C2
InChI
InChI=1S/C11H11BrO/c12-7-11(13)10-6-9(10)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2/t9-,10+/m0/s1
InChIKey
BLDDRMXZVRTVMO-VHSXEESVSA-N
Compound name
2-bromo-1-[(1R,2R)-2-phenylcyclopropyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.99933 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.006606 144.2
[M+Na]+ 260.988548 156.7
[M-H]- 236.992054 154.2
[M+NH4]+ 256.033153 161.1
[M+K]+ 276.962488 145.4
[M+H-H2O]+ 220.996590 143.7
[M+HCOO]- 282.997531 165.7
[M+CH3COO]- 297.013181 192.0
[M+Na-2H]- 258.973996 150.9
[M]+ 237.99878142 164.1
[M]- 237.99987858 164.1
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.