CID 75398512

2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

Structural Information

Molecular Formula
C6H4F3N5
SMILES
C1=C(N2C(=NC(=N2)C(F)(F)F)N=C1)N
InChI
InChI=1S/C6H4F3N5/c7-6(8,9)4-12-5-11-2-1-3(10)14(5)13-4/h1-2H,10H2
InChIKey
QUOGYIMRTHRKLY-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.04189 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.049166 136.8
[M+Na]+ 226.031108 149.7
[M-H]- 202.034614 133.2
[M+NH4]+ 221.075713 153.4
[M+K]+ 242.005048 145.6
[M+H-H2O]+ 186.039150 126.5
[M+HCOO]- 248.040091 154.8
[M+CH3COO]- 262.055741 185.0
[M+Na-2H]- 224.016556 145.0
[M]+ 203.04134142 134.0
[M]- 203.04243858 134.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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