CID 5708781

4,4,4-trifluorocrotonamide

Structural Information

Molecular Formula
C4H4F3NO
SMILES
C(=C/C(F)(F)F)\C(=O)N
InChI
InChI=1S/C4H4F3NO/c5-4(6,7)2-1-3(8)9/h1-2H,(H2,8,9)/b2-1+
InChIKey
UUJWVXVMQOGZID-OWOJBTEDSA-N
Compound name
(E)-4,4,4-trifluorobut-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

139.0245 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.031776 121.8
[M+Na]+ 162.013718 130.0
[M-H]- 138.017224 118.1
[M+NH4]+ 157.058323 142.9
[M+K]+ 177.987658 128.7
[M+H-H2O]+ 122.021760 115.3
[M+HCOO]- 184.022701 141.6
[M+CH3COO]- 198.038351 173.3
[M+Na-2H]- 159.999166 126.7
[M]+ 139.02395142 115.4
[M]- 139.02504858 115.4
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