CID 7131575

889943-45-7

Structural Information

Molecular Formula
C8H7F3N4
SMILES
C1=CC2=NN=C(N2C=C1C(F)(F)F)CN
InChI
InChI=1S/C8H7F3N4/c9-8(10,11)5-1-2-6-13-14-7(3-12)15(6)4-5/h1-2,4H,3,12H2
InChIKey
CVLCFENWSHXLIH-UHFFFAOYSA-N
Compound name
[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.06229 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.06957 141.0
[M+Na]+ 239.05151 153.0
[M-H]- 215.05501 138.4
[M+NH4]+ 234.09611 158.4
[M+K]+ 255.02545 148.6
[M+H-H2O]+ 199.05955 131.0
[M+HCOO]- 261.06049 159.6
[M+CH3COO]- 275.07614 188.0
[M+Na-2H]- 237.03696 148.2
[M]+ 216.06174 138.3
[M]- 216.06284 138.3
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.