CID 75480947

2,3-dichloro-5,6-diethylpyrazine

Structural Information

Molecular Formula
C8H10Cl2N2
SMILES
CCC1=C(N=C(C(=N1)Cl)Cl)CC
InChI
InChI=1S/C8H10Cl2N2/c1-3-5-6(4-2)12-8(10)7(9)11-5/h3-4H2,1-2H3
InChIKey
IGPMBOSVPGVGPA-UHFFFAOYSA-N
Compound name
2,3-dichloro-5,6-diethylpyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.02211 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.02939 138.2
[M+Na]+ 227.01133 149.8
[M-H]- 203.01483 138.7
[M+NH4]+ 222.05593 156.6
[M+K]+ 242.98527 144.7
[M+H-H2O]+ 187.01937 132.5
[M+HCOO]- 249.02031 150.5
[M+CH3COO]- 263.03596 185.7
[M+Na-2H]- 224.99678 143.6
[M]+ 204.02156 142.4
[M]- 204.02266 142.4
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.