CID 165883380

1-(1,1-difluoroethyl)-3-{3-iodobicyclo[1.1.1]pentan-1-yl}bicyclo[1.1.1]pentane

Structural Information

Molecular Formula
C12H15F2I
SMILES
CC(C12CC(C1)(C2)C34CC(C3)(C4)I)(F)F
InChI
InChI=1S/C12H15F2I/c1-8(13,14)9-2-10(3-9,4-9)11-5-12(15,6-11)7-11/h2-7H2,1H3
InChIKey
BXZYIIYIZFWRSZ-UHFFFAOYSA-N
Compound name
1-(1,1-difluoroethyl)-3-(3-iodo-1-bicyclo[1.1.1]pentanyl)bicyclo[1.1.1]pentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.01865 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.02593 211.2
[M+Na]+ 347.00787 211.1
[M-H]- 323.01137 212.9
[M+NH4]+ 342.05247 208.0
[M+K]+ 362.98181 214.6
[M+H-H2O]+ 307.01591 201.5
[M+HCOO]- 369.01685 210.9
[M+CH3COO]- 383.03250 261.5
[M+Na-2H]- 344.99332 204.1
[M]+ 324.01810 227.8
[M]- 324.01920 227.8
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.