CID 146082085

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

Structural Information

Molecular Formula
C7H6F5I
SMILES
C1C2(CC1(C2)I)C(C(F)(F)F)(F)F
InChI
InChI=1S/C7H6F5I/c8-6(9,7(10,11)12)4-1-5(13,2-4)3-4/h1-3H2
InChIKey
SEFJJYQILCRVHD-UHFFFAOYSA-N
Compound name
1-iodo-3-(1,1,2,2,2-pentafluoroethyl)bicyclo[1.1.1]pentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.94345 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.95073 161.8
[M+Na]+ 334.93267 163.0
[M-H]- 310.93617 156.4
[M+NH4]+ 329.97727 164.7
[M+K]+ 350.90661 170.7
[M+H-H2O]+ 294.94071 146.3
[M+HCOO]- 356.94165 166.3
[M+CH3COO]- 370.95730 217.5
[M+Na-2H]- 332.91812 159.3
[M]+ 311.94290 177.9
[M]- 311.94400 177.9
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

No patent data available for this compound.