CID 155970975

4-(difluoromethyl)-1-(iodomethyl)-2-oxabicyclo[2.1.1]hexane

Structural Information

Molecular Formula
C7H9F2IO
SMILES
C1C2(CC1(OC2)CI)C(F)F
InChI
InChI=1S/C7H9F2IO/c8-5(9)6-1-7(2-6,3-10)11-4-6/h5H,1-4H2
InChIKey
CFNDCUVKRDVWIM-UHFFFAOYSA-N
Compound name
4-(difluoromethyl)-1-(iodomethyl)-2-oxabicyclo[2.1.1]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.9666 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.97388 135.8
[M+Na]+ 296.95582 136.8
[M-H]- 272.95932 129.5
[M+NH4]+ 292.00042 154.7
[M+K]+ 312.92976 143.5
[M+H-H2O]+ 256.96386 126.1
[M+HCOO]- 318.96480 146.8
[M+CH3COO]- 332.98045 191.0
[M+Na-2H]- 294.94127 133.1
[M]+ 273.96605 143.8
[M]- 273.96715 143.8
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.