CID 605330

5,6-dichloro-[1,2,5]oxadiazolo[3,4-b]pyrazine

Structural Information

Molecular Formula
C4Cl2N4O
SMILES
C12=NON=C1N=C(C(=N2)Cl)Cl
InChI
InChI=1S/C4Cl2N4O/c5-1-2(6)8-4-3(7-1)9-11-10-4
InChIKey
VCQNGLLLIXRNIO-UHFFFAOYSA-N
Compound name
5,6-dichloro-[1,2,5]oxadiazolo[3,4-b]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

189.94492 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.95220 129.0
[M+Na]+ 212.93414 143.5
[M-H]- 188.93764 128.8
[M+NH4]+ 207.97874 146.2
[M+K]+ 228.90808 140.1
[M+H-H2O]+ 172.94218 121.3
[M+HCOO]- 234.94312 140.7
[M+CH3COO]- 248.95877 143.0
[M+Na-2H]- 210.91959 138.4
[M]+ 189.94437 134.9
[M]- 189.94547 134.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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