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

90
Patents

139.0245 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.03178 121.8
[M+Na]+ 162.01372 130.0
[M-H]- 138.01722 118.1
[M+NH4]+ 157.05832 142.9
[M+K]+ 177.98766 128.7
[M+H-H2O]+ 122.02176 115.3
[M+HCOO]- 184.02270 141.6
[M+CH3COO]- 198.03835 173.3
[M+Na-2H]- 159.99917 126.7
[M]+ 139.02395 115.4
[M]- 139.02505 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