CID 119022340

1361821-25-1

Structural Information

Molecular Formula
C7H5F3N2O2
SMILES
C1=CN=C(C(=C1OC(F)(F)F)C=O)N
InChI
InChI=1S/C7H5F3N2O2/c8-7(9,10)14-5-1-2-12-6(11)4(5)3-13/h1-3H,(H2,11,12)
InChIKey
WKAYEOZSXKHTHI-UHFFFAOYSA-N
Compound name
2-amino-4-(trifluoromethoxy)pyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.03032 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.03760 142.0
[M+Na]+ 229.01954 150.4
[M+NH4]+ 224.06414 146.4
[M+K]+ 244.99348 146.5
[M-H]- 205.02304 138.1
[M+Na-2H]- 227.00499 145.5
[M]+ 206.02977 141.6
[M]- 206.03087 141.6
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

No patent data available for this compound.