CID 136438

1-chloro-2-iodoethane

Structural Information

Molecular Formula
C2H4ClI
SMILES
C(CI)Cl
InChI
InChI=1S/C2H4ClI/c3-1-2-4/h1-2H2
InChIKey
JTWWWQGSFTWWDL-UHFFFAOYSA-N
Compound name
1-chloro-2-iodoethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

891
Patents

189.90463 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.91191 117.1
[M+Na]+ 212.89385 119.4
[M-H]- 188.89735 111.1
[M+NH4]+ 207.93845 136.9
[M+K]+ 228.86779 123.7
[M+H-H2O]+ 172.90189 110.9
[M+HCOO]- 234.90283 132.6
[M+CH3COO]- 248.91848 171.8
[M+Na-2H]- 210.87930 113.5
[M]+ 189.90408 116.2
[M]- 189.90518 116.2
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