CID 155822514

1-(1,1-difluoroethyl)-3-iodobicyclo[1.1.1]pentane

Structural Information

Molecular Formula
C7H9F2I
SMILES
CC(C12CC(C1)(C2)I)(F)F
InChI
InChI=1S/C7H9F2I/c1-5(8,9)6-2-7(10,3-6)4-6/h2-4H2,1H3
InChIKey
OPRMJTYJHVYHRA-UHFFFAOYSA-N
Compound name
1-(1,1-difluoroethyl)-3-iodobicyclo[1.1.1]pentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.9717 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.97898 149.3
[M+Na]+ 280.96092 150.0
[M-H]- 256.96442 146.5
[M+NH4]+ 276.00552 153.8
[M+K]+ 296.93486 158.5
[M+H-H2O]+ 240.96896 135.2
[M+HCOO]- 302.96990 157.2
[M+CH3COO]- 316.98555 211.9
[M+Na-2H]- 278.94637 148.0
[M]+ 257.97115 168.8
[M]- 257.97225 168.8
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.