CID 5709092

184848-89-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

139.0245 Da
Monoisotopic Mass

1.2
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

No literature data available for this compound.

Patent stripe

patents stripe