CID 83608

2,2,3-trichloropropionamide

Structural Information

Molecular Formula
C3H4Cl3NO
SMILES
C(C(C(=O)N)(Cl)Cl)Cl
InChI
InChI=1S/C3H4Cl3NO/c4-1-3(5,6)2(7)8/h1H2,(H2,7,8)
InChIKey
NAXPJDCDIPVXNE-UHFFFAOYSA-N
Compound name
2,2,3-trichloropropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

174.93585 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.94313 130.1
[M+Na]+ 197.92507 139.0
[M-H]- 173.92857 128.8
[M+NH4]+ 192.96967 150.7
[M+K]+ 213.89901 134.7
[M+H-H2O]+ 157.93311 128.8
[M+HCOO]- 219.93405 138.1
[M+CH3COO]- 233.94970 179.0
[M+Na-2H]- 195.91052 134.8
[M]+ 174.93530 130.4
[M]- 174.93640 130.4
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

patents stripe