CID 1500131

7-chloro-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

Structural Information

Molecular Formula
C7H4ClF3N4
SMILES
CC1=NC2=NC(=NN2C(=C1)Cl)C(F)(F)F
InChI
InChI=1S/C7H4ClF3N4/c1-3-2-4(8)15-6(12-3)13-5(14-15)7(9,10)11/h2H,1H3
InChIKey
ZPRYBESGXFDOSK-UHFFFAOYSA-N
Compound name
7-chloro-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

236.00766 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.014936 142.8
[M+Na]+ 258.996878 157.5
[M-H]- 235.000384 139.4
[M+NH4]+ 254.041483 159.6
[M+K]+ 274.970818 151.9
[M+H-H2O]+ 219.004920 132.7
[M+HCOO]- 281.005861 155.0
[M+CH3COO]- 295.021511 188.8
[M+Na-2H]- 256.982326 149.4
[M]+ 236.00711142 143.9
[M]- 236.00820858 143.9
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