CID 237755

2-chloro-n-(2,2,2-trichloro-1-hydroxyethyl)acetamide

Structural Information

Molecular Formula
C4H5Cl4NO2
SMILES
C(C(=O)NC(C(Cl)(Cl)Cl)O)Cl
InChI
InChI=1S/C4H5Cl4NO2/c5-1-2(10)9-3(11)4(6,7)8/h3,11H,1H2,(H,9,10)
InChIKey
YDCXJAACEIUSDW-UHFFFAOYSA-N
Compound name
2-chloro-N-(2,2,2-trichloro-1-hydroxyethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

238.90744 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.91472 142.5
[M+Na]+ 261.89666 150.0
[M-H]- 237.90016 139.2
[M+NH4]+ 256.94126 159.8
[M+K]+ 277.87060 145.3
[M+H-H2O]+ 221.90470 142.0
[M+HCOO]- 283.90564 143.5
[M+CH3COO]- 297.92129 187.9
[M+Na-2H]- 259.88211 144.9
[M]+ 238.90689 142.2
[M]- 238.90799 142.2
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