CID 86874

2,3-dichloropropanamide

Structural Information

Molecular Formula
C3H5Cl2NO
SMILES
C(C(C(=O)N)Cl)Cl
InChI
InChI=1S/C3H5Cl2NO/c4-1-2(5)3(6)7/h2H,1H2,(H2,6,7)
InChIKey
SQGUQSRDWXDLIH-UHFFFAOYSA-N
Compound name
2,3-dichloropropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

323
Patents

140.97482 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.982096 123.2
[M+Na]+ 163.964038 131.7
[M-H]- 139.967544 122.8
[M+NH4]+ 159.008643 145.3
[M+K]+ 179.937978 128.6
[M+H-H2O]+ 123.972080 121.0
[M+HCOO]- 185.973021 137.3
[M+CH3COO]- 199.988671 173.8
[M+Na-2H]- 161.949486 127.3
[M]+ 140.97427142 123.6
[M]- 140.97536858 123.6
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