CID 131320671

2503206-34-4

Structural Information

Molecular Formula
C7H9F3N4
SMILES
C1CN2C(=NN=C2C(F)(F)F)CC1N
InChI
InChI=1S/C7H9F3N4/c8-7(9,10)6-13-12-5-3-4(11)1-2-14(5)6/h4H,1-3,11H2
InChIKey
NDBLBAQENAIEMU-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.07793 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.08521 141.0
[M+Na]+ 229.06715 150.3
[M-H]- 205.07065 137.3
[M+NH4]+ 224.11175 158.5
[M+K]+ 245.04109 147.0
[M+H-H2O]+ 189.07519 131.1
[M+HCOO]- 251.07613 155.7
[M+CH3COO]- 265.09178 186.0
[M+Na-2H]- 227.05260 145.6
[M]+ 206.07738 133.6
[M]- 206.07848 133.6
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.