CID 132327792

2-(iodomethyl)-6-(trifluoromethyl)oxane

Structural Information

Molecular Formula
C7H10F3IO
SMILES
C1CC(OC(C1)C(F)(F)F)CI
InChI
InChI=1S/C7H10F3IO/c8-7(9,10)6-3-1-2-5(4-11)12-6/h5-6H,1-4H2
InChIKey
KIRYKRIYBQANPT-UHFFFAOYSA-N
Compound name
2-(iodomethyl)-6-(trifluoromethyl)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.97284 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.98012 143.5
[M+Na]+ 316.96206 143.0
[M-H]- 292.96556 136.5
[M+NH4]+ 312.00666 157.0
[M+K]+ 332.93600 148.3
[M+H-H2O]+ 276.97010 132.5
[M+HCOO]- 338.97104 154.0
[M+CH3COO]- 352.98669 188.9
[M+Na-2H]- 314.94751 136.5
[M]+ 293.97229 134.5
[M]- 293.97339 134.5
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.