CID 132398447

5,5-difluoro-2-(iodomethyl)oxane

Structural Information

Molecular Formula
C6H9F2IO
SMILES
C1CC(COC1CI)(F)F
InChI
InChI=1S/C6H9F2IO/c7-6(8)2-1-5(3-9)10-4-6/h5H,1-4H2
InChIKey
CZOSXLYWRTUQDV-UHFFFAOYSA-N
Compound name
5,5-difluoro-2-(iodomethyl)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.9666 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.97388 134.7
[M+Na]+ 284.95582 134.9
[M-H]- 260.95932 129.2
[M+NH4]+ 280.00042 151.3
[M+K]+ 300.92976 140.8
[M+H-H2O]+ 244.96386 125.0
[M+HCOO]- 306.96480 148.1
[M+CH3COO]- 320.98045 183.3
[M+Na-2H]- 282.94127 129.3
[M]+ 261.96605 127.4
[M]- 261.96715 127.4
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.