CID 11094805

2,2,2-trifluoro-n-(prop-2-yn-1-yl)acetamide

Structural Information

Molecular Formula
C5H4F3NO
SMILES
C#CCNC(=O)C(F)(F)F
InChI
InChI=1S/C5H4F3NO/c1-2-3-9-4(10)5(6,7)8/h1H,3H2,(H,9,10)
InChIKey
GAUSMJHDHCSZOX-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-N-prop-2-ynylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

769
Patents

151.0245 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.03178 123.7
[M+Na]+ 174.01372 133.0
[M-H]- 150.01722 119.9
[M+NH4]+ 169.05832 142.1
[M+K]+ 189.98766 131.8
[M+H-H2O]+ 134.02176 111.1
[M+HCOO]- 196.02270 138.4
[M+CH3COO]- 210.03835 185.0
[M+Na-2H]- 171.99917 128.5
[M]+ 151.02395 113.9
[M]- 151.02505 113.9
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