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]+ 203.006606 126.7
[M+Na]+ 224.988548 132.1
[M-H]- 200.992054 134.0
[M+NH4]+ 220.033153 129.7
[M+K]+ 240.962488 134.0
[M+H-H2O]+ 184.996590 119.2
[M+HCOO]- 246.997531 136.2
[M+CH3COO]- 261.013181 224.8
[M+Na-2H]- 222.973996 135.2
[M]+ 201.99878142 161.6
[M]- 201.99987858 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.