CID 10220126

8-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine

Structural Information

Molecular Formula
C6H2ClF3N4
SMILES
C1=CN2C(=NN=C2C(F)(F)F)C(=N1)Cl
InChI
InChI=1S/C6H2ClF3N4/c7-3-4-12-13-5(6(8,9)10)14(4)2-1-11-3/h1-2H
InChIKey
MTJVSFDBHKNNPB-UHFFFAOYSA-N
Compound name
8-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

221.992 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.99928 137.5
[M+Na]+ 244.98122 151.8
[M-H]- 220.98472 133.9
[M+NH4]+ 240.02582 154.6
[M+K]+ 260.95516 146.5
[M+H-H2O]+ 204.98926 127.3
[M+HCOO]- 266.99020 150.1
[M+CH3COO]- 281.00585 150.2
[M+Na-2H]- 242.96667 145.5
[M]+ 221.99145 138.0
[M]- 221.99255 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