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
2
Annotation Hits

2
References

353
Patents

245.96722 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.97450 130.9
[M+Na]+ 268.95644 135.5
[M+NH4]+ 264.00104 136.0
[M+K]+ 284.93038 131.4
[M-H]- 244.95994 125.4
[M+Na-2H]- 266.94189 124.0
[M]+ 245.96667 129.2
[M]- 245.96777 129.2
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