CID 72213247

1260670-78-7

Structural Information

Molecular Formula
C8H4F3N3O
SMILES
C1=CC2=NC(=NN2C=C1C=O)C(F)(F)F
InChI
InChI=1S/C8H4F3N3O/c9-8(10,11)7-12-6-2-1-5(4-15)3-14(6)13-7/h1-4H
InChIKey
HECCXDGEKWCZDA-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.03064 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.03792 139.2
[M+Na]+ 238.01986 152.3
[M-H]- 214.02336 137.1
[M+NH4]+ 233.06446 157.1
[M+K]+ 253.99380 148.2
[M+H-H2O]+ 198.02790 129.5
[M+HCOO]- 260.02884 157.8
[M+CH3COO]- 274.04449 185.0
[M+Na-2H]- 236.00531 146.9
[M]+ 215.03009 138.9
[M]- 215.03119 138.9
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.