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 136.8
[M+Na]+ 229.01954 146.9
[M-H]- 205.02304 135.4
[M+NH4]+ 224.06414 154.2
[M+K]+ 244.99348 144.4
[M+H-H2O]+ 189.02758 128.0
[M+HCOO]- 251.02852 156.9
[M+CH3COO]- 265.04417 185.5
[M+Na-2H]- 227.00499 142.8
[M]+ 206.02977 133.5
[M]- 206.03087 133.5
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.