CID 165991342

3-{3-bromobicyclo[1.1.1]pentan-1-yl}oxetane

Structural Information

Molecular Formula
C8H11BrO
SMILES
C1C(CO1)C23CC(C2)(C3)Br
InChI
InChI=1S/C8H11BrO/c9-8-3-7(4-8,5-8)6-1-10-2-6/h6H,1-5H2
InChIKey
YRCWHNOKHGDZTK-UHFFFAOYSA-N
Compound name
3-(3-bromo-1-bicyclo[1.1.1]pentanyl)oxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.99933 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.00661 126.7
[M+Na]+ 224.98855 132.1
[M-H]- 200.99205 134.0
[M+NH4]+ 220.03315 129.7
[M+K]+ 240.96249 134.0
[M+H-H2O]+ 184.99659 119.2
[M+HCOO]- 246.99753 136.2
[M+CH3COO]- 261.01318 224.8
[M+Na-2H]- 222.97400 135.2
[M]+ 201.99878 161.6
[M]- 201.99988 161.6
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.