CID 12354

1,5-diiodopentane

Structural Information

Molecular Formula
C5H10I2
SMILES
C(CCI)CCI
InChI
InChI=1S/C5H10I2/c6-4-2-1-3-5-7/h1-5H2
InChIKey
IAEOYUUPFYJXHN-UHFFFAOYSA-N
Compound name
1,5-diiodopentane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2196
Patents

323.8872 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.89448 135.0
[M+Na]+ 346.87642 127.9
[M-H]- 322.87992 124.2
[M+NH4]+ 341.92102 146.5
[M+K]+ 362.85036 138.8
[M+H-H2O]+ 306.88446 124.8
[M+HCOO]- 368.88540 147.1
[M+CH3COO]- 382.90105 195.4
[M+Na-2H]- 344.86187 123.6
[M]+ 323.88665 131.5
[M]- 323.88775 131.5
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