CID 12337

1,4-diiodobutane

Structural Information

Molecular Formula
C4H8I2
SMILES
C(CCI)CI
InChI
InChI=1S/C4H8I2/c5-3-1-2-4-6/h1-4H2
InChIKey
ROUYUBHVBIKMQO-UHFFFAOYSA-N
Compound name
1,4-diiodobutane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

10
References

3552
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 130.4
[M+Na]+ 332.86077 123.6
[M-H]- 308.86427 119.8
[M+NH4]+ 327.90537 142.3
[M+K]+ 348.83471 134.8
[M+H-H2O]+ 292.86881 120.4
[M+HCOO]- 354.86975 142.8
[M+CH3COO]- 368.88540 193.0
[M+Na-2H]- 330.84622 119.5
[M]+ 309.87100 126.6
[M]- 309.87210 126.6
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