CID 132327793

2126177-81-7

Structural Information

Molecular Formula
C6H8F3IO
SMILES
C1CC(OC1CI)C(F)(F)F
InChI
InChI=1S/C6H8F3IO/c7-6(8,9)5-2-1-4(3-10)11-5/h4-5H,1-3H2
InChIKey
VMEZTVDNPKFRGZ-UHFFFAOYSA-N
Compound name
2-(iodomethyl)-5-(trifluoromethyl)oxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.9572 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.96448 138.5
[M+Na]+ 302.94642 139.4
[M-H]- 278.94992 132.0
[M+NH4]+ 297.99102 154.4
[M+K]+ 318.92036 144.8
[M+H-H2O]+ 262.95446 128.4
[M+HCOO]- 324.95540 151.5
[M+CH3COO]- 338.97105 185.8
[M+Na-2H]- 300.93187 131.1
[M]+ 279.95665 131.3
[M]- 279.95775 131.3
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.