CID 155822521

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

Structural Information

Molecular Formula
C7H9BrF2O
SMILES
C1C2(CC1(OC2)CBr)C(F)F
InChI
InChI=1S/C7H9BrF2O/c8-3-7-1-6(2-7,4-11-7)5(9)10/h5H,1-4H2
InChIKey
SBGPGABHNVWGDC-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-4-(difluoromethyl)-2-oxabicyclo[2.1.1]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.98048 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.98776 145.2
[M+Na]+ 248.96970 156.2
[M-H]- 224.97320 148.0
[M+NH4]+ 244.01430 169.9
[M+K]+ 264.94364 149.8
[M+H-H2O]+ 208.97774 144.6
[M+HCOO]- 270.97868 159.0
[M+CH3COO]- 284.99433 189.9
[M+Na-2H]- 246.95515 154.2
[M]+ 225.97993 173.0
[M]- 225.98103 173.0
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.