CID 108914

1-chloro-5-iodopentane

Structural Information

Molecular Formula
C5H10ClI
SMILES
C(CCCl)CCI
InChI
InChI=1S/C5H10ClI/c6-4-2-1-3-5-7/h1-5H2
InChIKey
GUUHKOCYWBEGGX-UHFFFAOYSA-N
Compound name
1-chloro-5-iodopentane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

320
Patents

231.95158 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.95886 132.0
[M+Na]+ 254.94080 133.1
[M-H]- 230.94430 125.4
[M+NH4]+ 249.98540 150.2
[M+K]+ 270.91474 136.5
[M+H-H2O]+ 214.94884 125.0
[M+HCOO]- 276.94978 146.5
[M+CH3COO]- 290.96543 180.3
[M+Na-2H]- 252.92625 126.6
[M]+ 231.95103 132.1
[M]- 231.95213 132.1
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