CID 12314

1,3-diiodopropane

Structural Information

Molecular Formula
C3H6I2
SMILES
C(CI)CI
InChI
InChI=1S/C3H6I2/c4-2-1-3-5/h1-3H2
InChIKey
AAAXMNYUNVCMCJ-UHFFFAOYSA-N
Compound name
1,3-diiodopropane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

5292
Patents

295.8559 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.86318 125.7
[M+Na]+ 318.84512 119.3
[M-H]- 294.84862 115.3
[M+NH4]+ 313.88972 138.1
[M+K]+ 334.81906 130.7
[M+H-H2O]+ 278.85316 115.9
[M+HCOO]- 340.85410 138.4
[M+CH3COO]- 354.86975 190.6
[M+Na-2H]- 316.83057 115.4
[M]+ 295.85535 121.6
[M]- 295.85645 121.6
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