CID 11834162

1,3-diiodobicyclo[1.1.1]pentane

Structural Information

Molecular Formula
C5H6I2
SMILES
C1C2(CC1(C2)I)I
InChI
InChI=1S/C5H6I2/c6-4-1-5(7,2-4)3-4/h1-3H2
InChIKey
JJWNAOGSAYBEPB-UHFFFAOYSA-N
Compound name
1,3-diiodobicyclo[1.1.1]pentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

319.8559 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.86318 129.2
[M+Na]+ 342.84512 124.7
[M-H]- 318.84862 124.5
[M+NH4]+ 337.88972 131.6
[M+K]+ 358.81906 137.0
[M+H-H2O]+ 302.85316 115.9
[M+HCOO]- 364.85410 136.1
[M+CH3COO]- 378.86975 216.4
[M+Na-2H]- 340.83057 125.1
[M]+ 319.85535 145.2
[M]- 319.85645 145.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe