CID 14042945

2,2-diiodobutane

Structural Information

Molecular Formula
C4H8I2
SMILES
CCC(C)(I)I
InChI
InChI=1S/C4H8I2/c1-3-4(2,5)6/h3H2,1-2H3
InChIKey
LGXRSMGEDJRTSC-UHFFFAOYSA-N
Compound name
2,2-diiodobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

309.87155 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.87883 130.5
[M+Na]+ 332.86077 124.1
[M-H]- 308.86427 120.2
[M+NH4]+ 327.90537 142.6
[M+K]+ 348.83471 135.6
[M+H-H2O]+ 292.86881 121.1
[M+HCOO]- 354.86975 141.7
[M+CH3COO]- 368.88540 193.2
[M+Na-2H]- 330.84622 120.1
[M]+ 309.87100 126.3
[M]- 309.87210 126.3
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