CID 21775920

2-chloro-2-iodoacetamide

Structural Information

Molecular Formula
C2H3ClINO
SMILES
C(C(=O)N)(Cl)I
InChI
InChI=1S/C2H3ClINO/c3-1(4)2(5)6/h1H,(H2,5,6)
InChIKey
UWWIMPAKBITDPS-UHFFFAOYSA-N
Compound name
2-chloro-2-iodoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

218.89479 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.90207 128.5
[M+Na]+ 241.88401 129.7
[M-H]- 217.88751 122.2
[M+NH4]+ 236.92861 146.3
[M+K]+ 257.85795 134.1
[M+H-H2O]+ 201.89205 121.6
[M+HCOO]- 263.89299 142.8
[M+CH3COO]- 277.90864 177.9
[M+Na-2H]- 239.86946 121.0
[M]+ 218.89424 125.3
[M]- 218.89534 125.3
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