CID 21738338

1,3-diiodo-2-methylpropane

Structural Information

Molecular Formula
C4H8I2
SMILES
CC(CI)CI
InChI
InChI=1S/C4H8I2/c1-4(2-5)3-6/h4H,2-3H2,1H3
InChIKey
NYJFWRSAFZAQPX-UHFFFAOYSA-N
Compound name
1,3-diiodo-2-methylpropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1016
Patents

309.87155 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.878826 129.5
[M+Na]+ 332.860768 122.6
[M-H]- 308.864274 119.0
[M+NH4]+ 327.905373 141.5
[M+K]+ 348.834708 134.1
[M+H-H2O]+ 292.868810 119.6
[M+HCOO]- 354.869751 141.2
[M+CH3COO]- 368.885401 193.6
[M+Na-2H]- 330.846216 117.8
[M]+ 309.87100142 125.2
[M]- 309.87209858 125.2
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

patents stripe