CID 39871634

1803587-02-1

Structural Information

Molecular Formula
C6H5F3N2O
SMILES
C1=C(C(=O)NC(=C1)C(F)(F)F)N
InChI
InChI=1S/C6H5F3N2O/c7-6(8,9)4-2-1-3(10)5(12)11-4/h1-2H,10H2,(H,11,12)
InChIKey
SAPBOWOBNMUXME-UHFFFAOYSA-N
Compound name
3-amino-6-(trifluoromethyl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

178.0354 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.042676 130.1
[M+Na]+ 201.024618 140.3
[M-H]- 177.028124 127.6
[M+NH4]+ 196.069223 148.0
[M+K]+ 216.998558 136.6
[M+H-H2O]+ 161.032660 122.0
[M+HCOO]- 223.033601 148.8
[M+CH3COO]- 237.049251 177.9
[M+Na-2H]- 199.010066 136.1
[M]+ 178.03485142 123.1
[M]- 178.03594858 123.1
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