CID 22665557

Methyl 3,5-dichloropyrazine-2-carboxylate

Structural Information

Molecular Formula
C6H4Cl2N2O2
SMILES
COC(=O)C1=NC=C(N=C1Cl)Cl
InChI
InChI=1S/C6H4Cl2N2O2/c1-12-6(11)4-5(8)10-3(7)2-9-4/h2H,1H3
InChIKey
VEDWLDKMRDJFNF-UHFFFAOYSA-N
Compound name
methyl 3,5-dichloropyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

220
Patents

205.96498 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.97226 132.9
[M+Na]+ 228.95420 144.4
[M-H]- 204.95770 133.9
[M+NH4]+ 223.99880 150.9
[M+K]+ 244.92814 140.8
[M+H-H2O]+ 188.96224 127.5
[M+HCOO]- 250.96318 145.7
[M+CH3COO]- 264.97883 181.9
[M+Na-2H]- 226.93965 139.1
[M]+ 205.96443 137.6
[M]- 205.96553 137.6
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