CID 165761902

1-{bicyclo[1.1.1]pentan-1-yl}-3-bromopropan-2-one

Structural Information

Molecular Formula
C8H11BrO
SMILES
C1C2CC1(C2)CC(=O)CBr
InChI
InChI=1S/C8H11BrO/c9-5-7(10)4-8-1-6(2-8)3-8/h6H,1-5H2
InChIKey
IKLQDAVAUKOSPQ-UHFFFAOYSA-N
Compound name
1-(1-bicyclo[1.1.1]pentanyl)-3-bromopropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.99933 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.006606 132.9
[M+Na]+ 224.988548 139.4
[M-H]- 200.992054 138.1
[M+NH4]+ 220.033153 140.6
[M+K]+ 240.962488 138.8
[M+H-H2O]+ 184.996590 125.1
[M+HCOO]- 246.997531 145.1
[M+CH3COO]- 261.013181 210.5
[M+Na-2H]- 222.973996 141.3
[M]+ 201.99878142 169.6
[M]- 201.99987858 169.6
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.