CID 117686381

1-(iodomethyl)-1-(trifluoromethyl)cyclobutane

Structural Information

Molecular Formula
C6H8F3I
SMILES
C1CC(C1)(CI)C(F)(F)F
InChI
InChI=1S/C6H8F3I/c7-6(8,9)5(4-10)2-1-3-5/h1-4H2
InChIKey
FUKSMHQUXXBYSC-UHFFFAOYSA-N
Compound name
1-(iodomethyl)-1-(trifluoromethyl)cyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

263.96228 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.96956 136.1
[M+Na]+ 286.95150 136.5
[M-H]- 262.95500 129.8
[M+NH4]+ 281.99610 148.1
[M+K]+ 302.92544 143.3
[M+H-H2O]+ 246.95954 122.7
[M+HCOO]- 308.96048 148.9
[M+CH3COO]- 322.97613 187.7
[M+Na-2H]- 284.93695 130.7
[M]+ 263.96173 136.9
[M]- 263.96283 136.9
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

patents stripe