CID 165476209

5-chloro-2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

Structural Information

Molecular Formula
C8H2ClF6N3
SMILES
C1=C(C=C(N2C1=NC(=N2)C(F)(F)F)Cl)C(F)(F)F
InChI
InChI=1S/C8H2ClF6N3/c9-4-1-3(7(10,11)12)2-5-16-6(8(13,14)15)17-18(4)5/h1-2H
InChIKey
QZUZVHCSSMEAAK-UHFFFAOYSA-N
Compound name
5-chloro-2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.98413 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.99141 150.9
[M+Na]+ 311.97335 165.7
[M-H]- 287.97685 145.3
[M+NH4]+ 307.01795 166.8
[M+K]+ 327.94729 159.2
[M+H-H2O]+ 271.98139 139.4
[M+HCOO]- 333.98233 159.4
[M+CH3COO]- 347.99798 197.2
[M+Na-2H]- 309.95880 156.3
[M]+ 288.98358 147.8
[M]- 288.98468 147.8
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.