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]+ 203.00661 132.9
[M+Na]+ 224.98855 139.4
[M-H]- 200.99205 138.1
[M+NH4]+ 220.03315 140.6
[M+K]+ 240.96249 138.8
[M+H-H2O]+ 184.99659 125.1
[M+HCOO]- 246.99753 145.1
[M+CH3COO]- 261.01318 210.5
[M+Na-2H]- 222.97400 141.3
[M]+ 201.99878 169.6
[M]- 201.99988 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.