CID 229465

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

Structural Information

Molecular Formula
C4H3Cl6NO2
SMILES
C(C(Cl)(Cl)Cl)(NC(=O)C(Cl)(Cl)Cl)O
InChI
InChI=1S/C4H3Cl6NO2/c5-3(6,7)1(12)11-2(13)4(8,9)10/h1,12H,(H,11,13)
InChIKey
PEQMUUMLEPJMCU-UHFFFAOYSA-N
Compound name
2,2,2-trichloro-N-(2,2,2-trichloro-1-hydroxyethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.8295 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.83678 160.6
[M+Na]+ 329.81872 166.0
[M-H]- 305.82222 154.1
[M+NH4]+ 324.86332 173.1
[M+K]+ 345.79266 162.4
[M+H-H2O]+ 289.82676 160.6
[M+HCOO]- 351.82770 149.7
[M+CH3COO]- 365.84335 201.3
[M+Na-2H]- 327.80417 159.7
[M]+ 306.82895 155.3
[M]- 306.83005 155.3
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