CID 16768300

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

Structural Information

Molecular Formula
C6H2ClF3N4
SMILES
C1=C(N2C(=NC=N2)N=C1C(F)(F)F)Cl
InChI
InChI=1S/C6H2ClF3N4/c7-4-1-3(6(8,9)10)13-5-11-2-12-14(4)5/h1-2H
InChIKey
XIJVOFVFGZWNSZ-UHFFFAOYSA-N
Compound name
7-chloro-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

221.992 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.999276 137.5
[M+Na]+ 244.981218 151.8
[M-H]- 220.984724 133.9
[M+NH4]+ 240.025823 154.6
[M+K]+ 260.955158 146.5
[M+H-H2O]+ 204.989260 127.3
[M+HCOO]- 266.990201 150.1
[M+CH3COO]- 281.005851 150.2
[M+Na-2H]- 242.966666 145.5
[M]+ 221.99145142 138.0
[M]- 221.99254858 138.0
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