CID 12694

2,2-dichloroacetamide

Structural Information

Molecular Formula
C2H3Cl2NO
SMILES
C(C(=O)N)(Cl)Cl
InChI
InChI=1S/C2H3Cl2NO/c3-1(4)2(5)6/h1H,(H2,5,6)
InChIKey
WCGGWVOVFQNRRS-UHFFFAOYSA-N
Compound name
2,2-dichloroacetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

65
References

7177
Patents

126.95917 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.96645 118.5
[M+Na]+ 149.94839 127.4
[M-H]- 125.95189 118.3
[M+NH4]+ 144.99299 141.1
[M+K]+ 165.92233 124.6
[M+H-H2O]+ 109.95643 116.5
[M+HCOO]- 171.95737 132.9
[M+CH3COO]- 185.97302 170.8
[M+Na-2H]- 147.93384 123.1
[M]+ 126.95862 118.5
[M]- 126.95972 118.5
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