CID 146155713

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

Structural Information

Molecular Formula
C6H8ClI
SMILES
C1C2(CC1(C2)I)CCl
InChI
InChI=1S/C6H8ClI/c7-4-5-1-6(8,2-5)3-5/h1-4H2
InChIKey
XYGHRKAOSWIOGJ-UHFFFAOYSA-N
Compound name
1-(chloromethyl)-3-iodobicyclo[1.1.1]pentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.93593 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.94321 131.5
[M+Na]+ 264.92515 133.4
[M-H]- 240.92865 130.3
[M+NH4]+ 259.96975 137.3
[M+K]+ 280.89909 140.6
[M+H-H2O]+ 224.93319 119.4
[M+HCOO]- 286.93413 139.7
[M+CH3COO]- 300.94978 208.5
[M+Na-2H]- 262.91060 132.1
[M]+ 241.93538 154.1
[M]- 241.93648 154.1
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.