CID 155858571

1-(fluoromethyl)-3-iodobicyclo[1.1.1]pentane

Structural Information

Molecular Formula
C6H8FI
SMILES
C1C2(CC1(C2)I)CF
InChI
InChI=1S/C6H8FI/c7-4-5-1-6(8,2-5)3-5/h1-4H2
InChIKey
XZBUQSLQGWKCGJ-UHFFFAOYSA-N
Compound name
1-(fluoromethyl)-3-iodobicyclo[1.1.1]pentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.96548 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.97276 138.0
[M+Na]+ 248.95470 138.8
[M-H]- 224.95820 136.1
[M+NH4]+ 243.99930 143.4
[M+K]+ 264.92864 147.5
[M+H-H2O]+ 208.96274 124.2
[M+HCOO]- 270.96368 148.2
[M+CH3COO]- 284.97933 207.7
[M+Na-2H]- 246.94015 137.5
[M]+ 225.96493 158.5
[M]- 225.96603 158.5
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.