CID 155820958

1-iodo-3-(2,2,2-trifluoroethyl)bicyclo[1.1.1]pentane

Structural Information

Molecular Formula
C7H8F3I
SMILES
C1C2(CC1(C2)I)CC(F)(F)F
InChI
InChI=1S/C7H8F3I/c8-7(9,10)4-5-1-6(11,2-5)3-5/h1-4H2
InChIKey
BXOXBYVRPYOWSV-UHFFFAOYSA-N
Compound name
1-iodo-3-(2,2,2-trifluoroethyl)bicyclo[1.1.1]pentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.96228 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.96956 152.1
[M+Na]+ 298.95150 152.9
[M-H]- 274.95500 148.3
[M+NH4]+ 293.99610 156.1
[M+K]+ 314.92544 161.0
[M+H-H2O]+ 258.95954 137.4
[M+HCOO]- 320.96048 159.3
[M+CH3COO]- 334.97613 213.4
[M+Na-2H]- 296.93695 150.3
[M]+ 275.96173 170.6
[M]- 275.96283 170.6
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.