CID 62539706

3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine hydrochloride

Structural Information

Molecular Formula
C7H6F2N4
SMILES
C1=CC2=NN=C(N2C=C1N)C(F)F
InChI
InChI=1S/C7H6F2N4/c8-6(9)7-12-11-5-2-1-4(10)3-13(5)7/h1-3,6H,10H2
InChIKey
RMQYJUCJHFJVRZ-UHFFFAOYSA-N
Compound name
3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

184.05605 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.06333 132.2
[M+Na]+ 207.04527 143.9
[M-H]- 183.04877 130.9
[M+NH4]+ 202.08987 150.8
[M+K]+ 223.01921 140.2
[M+H-H2O]+ 167.05331 122.9
[M+HCOO]- 229.05425 153.0
[M+CH3COO]- 243.06990 145.4
[M+Na-2H]- 205.03072 138.8
[M]+ 184.05550 130.4
[M]- 184.05660 130.4
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

patents stripe