CID 14482

N-(2,2-dichloro-1-hydroxyethyl)-2-fluoroacetamide

Structural Information

Molecular Formula
C4H6Cl2FNO2
SMILES
C(C(=O)NC(C(Cl)Cl)O)F
InChI
InChI=1S/C4H6Cl2FNO2/c5-3(6)4(10)8-2(9)1-7/h3-4,10H,1H2,(H,8,9)
InChIKey
RKMBPARPFMUZSG-UHFFFAOYSA-N
Compound name
N-(2,2-dichloro-1-hydroxyethyl)-2-fluoroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.97597 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.98325 131.1
[M+Na]+ 211.96519 138.7
[M-H]- 187.96869 128.5
[M+NH4]+ 207.00979 150.9
[M+K]+ 227.93913 135.4
[M+H-H2O]+ 171.97323 128.0
[M+HCOO]- 233.97417 142.5
[M+CH3COO]- 247.98982 179.7
[M+Na-2H]- 209.95064 133.7
[M]+ 188.97542 130.8
[M]- 188.97652 130.8
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.