CID 2776701

54888-09-4

Structural Information

Molecular Formula
C5H5Cl3N2O2
SMILES
C(C#N)C(=O)NC(C(Cl)(Cl)Cl)O
InChI
InChI=1S/C5H5Cl3N2O2/c6-5(7,8)4(12)10-3(11)1-2-9/h4,12H,1H2,(H,10,11)
InChIKey
BQTQWELXEBAEEU-UHFFFAOYSA-N
Compound name
2-cyano-N-(2,2,2-trichloro-1-hydroxyethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.94167 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.94895 146.6
[M+Na]+ 252.93089 156.3
[M-H]- 228.93439 145.5
[M+NH4]+ 247.97549 163.2
[M+K]+ 268.90483 152.0
[M+H-H2O]+ 212.93893 139.0
[M+HCOO]- 274.93987 151.2
[M+CH3COO]- 288.95552 197.2
[M+Na-2H]- 250.91634 149.6
[M]+ 229.94112 142.9
[M]- 229.94222 142.9
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.