CID 155820262

1-(bromomethyl)-4-(difluoromethyl)-2-oxabicyclo[2.2.1]heptane

Structural Information

Molecular Formula
C8H11BrF2O
SMILES
C1CC2(CC1(CO2)C(F)F)CBr
InChI
InChI=1S/C8H11BrF2O/c9-4-8-2-1-7(3-8,5-12-8)6(10)11/h6H,1-5H2
InChIKey
KHIHANRLNPVTIA-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-4-(difluoromethyl)-2-oxabicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.99612 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.00340 150.8
[M+Na]+ 262.98534 162.5
[M-H]- 238.98884 154.6
[M+NH4]+ 258.02994 179.0
[M+K]+ 278.95928 153.2
[M+H-H2O]+ 222.99338 152.3
[M+HCOO]- 284.99432 166.6
[M+CH3COO]- 299.00997 186.4
[M+Na-2H]- 260.97079 156.8
[M]+ 239.99557 166.6
[M]- 239.99667 166.6
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.