CID 95211

2,2,2-trifluoro-n-(2-hydroxyethyl)acetamide

Structural Information

Molecular Formula
C4H6F3NO2
SMILES
C(CO)NC(=O)C(F)(F)F
InChI
InChI=1S/C4H6F3NO2/c5-4(6,7)3(10)8-1-2-9/h9H,1-2H2,(H,8,10)
InChIKey
NPSVCXHBJVBBAD-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

276
Patents

157.03506 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.042336 126.3
[M+Na]+ 180.024278 133.8
[M-H]- 156.027784 121.6
[M+NH4]+ 175.068883 146.2
[M+K]+ 195.998218 133.0
[M+H-H2O]+ 140.032320 119.6
[M+HCOO]- 202.033261 145.2
[M+CH3COO]- 216.048911 174.4
[M+Na-2H]- 178.009726 131.8
[M]+ 157.03451142 121.2
[M]- 157.03560858 121.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe