CID 118713

1-chloro-6-iodohexane

Structural Information

Molecular Formula
C6H12ClI
SMILES
C(CCCI)CCCl
InChI
InChI=1S/C6H12ClI/c7-5-3-1-2-4-6-8/h1-6H2
InChIKey
QTJHNJCILMMRIQ-UHFFFAOYSA-N
Compound name
1-chloro-6-iodohexane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

341
Patents

245.96722 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.974496 136.9
[M+Na]+ 268.956438 137.6
[M-H]- 244.959944 130.2
[M+NH4]+ 264.001043 154.6
[M+K]+ 284.930378 140.8
[M+H-H2O]+ 228.964480 129.7
[M+HCOO]- 290.965421 151.1
[M+CH3COO]- 304.981071 183.2
[M+Na-2H]- 266.941886 130.9
[M]+ 245.96667142 137.4
[M]- 245.96776858 137.4
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