CID 135392237

3-(bromomethyl)-3-(difluoromethyl)oxetane

Structural Information

Molecular Formula
C5H7BrF2O
SMILES
C1C(CO1)(CBr)C(F)F
InChI
InChI=1S/C5H7BrF2O/c6-1-5(4(7)8)2-9-3-5/h4H,1-3H2
InChIKey
UEDXQERWLLMWMP-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-3-(difluoromethyl)oxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.96483 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.97211 126.3
[M+Na]+ 222.95405 136.3
[M-H]- 198.95755 130.9
[M+NH4]+ 217.99865 143.5
[M+K]+ 238.92799 130.9
[M+H-H2O]+ 182.96209 122.4
[M+HCOO]- 244.96303 143.1
[M+CH3COO]- 258.97868 184.0
[M+Na-2H]- 220.93950 134.7
[M]+ 199.96428 150.0
[M]- 199.96538 150.0
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.