CID 3089941

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

Structural Information

Molecular Formula
C4H5Cl3FNO2
SMILES
C(C(=O)NC(C(Cl)(Cl)Cl)O)F
InChI
InChI=1S/C4H5Cl3FNO2/c5-4(6,7)3(11)9-2(10)1-8/h3,11H,1H2,(H,9,10)
InChIKey
ITIIIEWTQZSCHH-UHFFFAOYSA-N
Compound name
2-fluoro-N-(2,2,2-trichloro-1-hydroxyethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

222.937 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.94428 136.6
[M+Na]+ 245.92622 144.8
[M-H]- 221.92972 133.4
[M+NH4]+ 240.97082 155.1
[M+K]+ 261.90016 140.3
[M+H-H2O]+ 205.93426 134.7
[M+HCOO]- 267.93520 142.2
[M+CH3COO]- 281.95085 184.1
[M+Na-2H]- 243.91167 140.1
[M]+ 222.93645 136.3
[M]- 222.93755 136.3
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