CID 1254610

299918-83-5

Structural Information

Molecular Formula
C6H3F3N4O
SMILES
C1=C(N=C2N=CNN2C1=O)C(F)(F)F
InChI
InChI=1S/C6H3F3N4O/c7-6(8,9)3-1-4(14)13-5(12-3)10-2-11-13/h1-2H,(H,10,11,12)
InChIKey
QHTMBKSOMNTQJU-UHFFFAOYSA-N
Compound name
5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

204.0259 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.033176 136.1
[M+Na]+ 227.015118 149.5
[M-H]- 203.018624 131.6
[M+NH4]+ 222.059723 152.3
[M+K]+ 242.989058 144.8
[M+H-H2O]+ 187.023160 126.2
[M+HCOO]- 249.024101 152.4
[M+CH3COO]- 263.039751 179.6
[M+Na-2H]- 225.000566 144.1
[M]+ 204.02535142 133.7
[M]- 204.02644858 133.7
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