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

1020
Patents

309.87155 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.87883 129.5
[M+Na]+ 332.86077 122.6
[M-H]- 308.86427 119.0
[M+NH4]+ 327.90537 141.5
[M+K]+ 348.83471 134.1
[M+H-H2O]+ 292.86881 119.6
[M+HCOO]- 354.86975 141.2
[M+CH3COO]- 368.88540 193.6
[M+Na-2H]- 330.84622 117.8
[M]+ 309.87100 125.2
[M]- 309.87210 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