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]+ 243.01906 147.7
[M+Na]+ 265.00100 157.2
[M-H]- 241.00450 151.5
[M+NH4]+ 260.04560 169.3
[M+K]+ 280.97494 148.3
[M+H-H2O]+ 225.00904 147.8
[M+HCOO]- 287.00998 161.8
[M+CH3COO]- 301.02563 187.1
[M+Na-2H]- 262.98645 155.6
[M]+ 242.01123 161.4
[M]- 242.01233 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.