CID 165989918

3,3-difluoro-6-(iodomethyl)-2,2-dimethyloxane

Structural Information

Molecular Formula
C8H13F2IO
SMILES
CC1(C(CCC(O1)CI)(F)F)C
InChI
InChI=1S/C8H13F2IO/c1-7(2)8(9,10)4-3-6(5-11)12-7/h6H,3-5H2,1-2H3
InChIKey
RTNUSKIXIBZZME-UHFFFAOYSA-N
Compound name
3,3-difluoro-6-(iodomethyl)-2,2-dimethyloxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.99792 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.00520 140.1
[M+Na]+ 312.98714 141.4
[M-H]- 288.99064 135.2
[M+NH4]+ 308.03174 158.0
[M+K]+ 328.96108 147.2
[M+H-H2O]+ 272.99518 131.4
[M+HCOO]- 334.99612 152.9
[M+CH3COO]- 349.01177 189.8
[M+Na-2H]- 310.97259 134.5
[M]+ 289.99737 134.3
[M]- 289.99847 134.3
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.