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

64
Patents

178.0354 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.04268 130.1
[M+Na]+ 201.02462 140.3
[M-H]- 177.02812 127.6
[M+NH4]+ 196.06922 148.0
[M+K]+ 216.99856 136.6
[M+H-H2O]+ 161.03266 122.0
[M+HCOO]- 223.03360 148.8
[M+CH3COO]- 237.04925 177.9
[M+Na-2H]- 199.01007 136.1
[M]+ 178.03485 123.1
[M]- 178.03595 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