CID 64368692

8-chloro-3-(difluoromethyl)-(1,2,4)triazolo(4,3-a)pyrazine

Structural Information

Molecular Formula
C6H3ClF2N4
SMILES
C1=CN2C(=NN=C2C(F)F)C(=N1)Cl
InChI
InChI=1S/C6H3ClF2N4/c7-3-5-11-12-6(4(8)9)13(5)2-1-10-3/h1-2,4H
InChIKey
GDBHLKPPIISGTN-UHFFFAOYSA-N
Compound name
8-chloro-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.00143 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.00871 132.7
[M+Na]+ 226.99065 146.2
[M-H]- 202.99415 130.1
[M+NH4]+ 222.03525 150.3
[M+K]+ 242.96459 141.4
[M+H-H2O]+ 186.99869 123.0
[M+HCOO]- 248.99963 147.1
[M+CH3COO]- 263.01528 145.8
[M+Na-2H]- 224.97610 139.6
[M]+ 204.00088 134.4
[M]- 204.00198 134.4
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

No patent data available for this compound.