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

7789
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.