CID 131074135

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

Structural Information

Molecular Formula
C6H4Cl2N4
SMILES
C1=CN2C(=NN=C2C(=N1)Cl)CCl
InChI
InChI=1S/C6H4Cl2N4/c7-3-4-10-11-6-5(8)9-1-2-12(4)6/h1-2H,3H2
InChIKey
YHOZBTZEVYOBGW-UHFFFAOYSA-N
Compound name
8-chloro-3-(chloromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.98131 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.98859 135.0
[M+Na]+ 224.97053 148.7
[M-H]- 200.97403 133.9
[M+NH4]+ 220.01513 153.0
[M+K]+ 240.94447 143.4
[M+H-H2O]+ 184.97857 127.0
[M+HCOO]- 246.97951 146.9
[M+CH3COO]- 260.99516 148.2
[M+Na-2H]- 222.95598 143.0
[M]+ 201.98076 139.7
[M]- 201.98186 139.7
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

No patent data available for this compound.