CID 132398745

4-(bromomethyl)-4-(1,1-difluoroethyl)oxane

Structural Information

Molecular Formula
C8H13BrF2O
SMILES
CC(C1(CCOCC1)CBr)(F)F
InChI
InChI=1S/C8H13BrF2O/c1-7(10,11)8(6-9)2-4-12-5-3-8/h2-6H2,1H3
InChIKey
FKCHKEPOSQJGGA-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-4-(1,1-difluoroethyl)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.01178 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.019056 147.7
[M+Na]+ 265.000998 157.2
[M-H]- 241.004504 151.5
[M+NH4]+ 260.045603 169.3
[M+K]+ 280.974938 148.3
[M+H-H2O]+ 225.009040 147.8
[M+HCOO]- 287.009981 161.8
[M+CH3COO]- 301.025631 187.1
[M+Na-2H]- 262.986446 155.6
[M]+ 242.01123142 161.4
[M]- 242.01232858 161.4
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.