CID 154577106

4-(bromomethyl)-1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexane

Structural Information

Molecular Formula
C7H10BrFO
SMILES
C1C2(CC1(OC2)CF)CBr
InChI
InChI=1S/C7H10BrFO/c8-3-6-1-7(2-6,4-9)10-5-6/h1-5H2
InChIKey
BVFUHRXCRDKELD-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.98991 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.99719 138.1
[M+Na]+ 230.97913 149.5
[M-H]- 206.98263 142.2
[M+NH4]+ 226.02373 163.7
[M+K]+ 246.95307 143.2
[M+H-H2O]+ 190.98717 138.3
[M+HCOO]- 252.98811 153.9
[M+CH3COO]- 267.00376 153.4
[M+Na-2H]- 228.96458 149.2
[M]+ 207.98936 167.7
[M]- 207.99046 167.7
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.