CID 466438

3-chloro-7-methoxy-quinoxaline-2-carbonitrile

Structural Information

Molecular Formula
C10H6ClN3O
SMILES
COC1=CC2=C(C=C1)N=C(C(=N2)C#N)Cl
InChI
InChI=1S/C10H6ClN3O/c1-15-6-2-3-7-8(4-6)13-9(5-12)10(11)14-7/h2-4H,1H3
InChIKey
SAGPGRJSVSLGTH-UHFFFAOYSA-N
Compound name
3-chloro-7-methoxyquinoxaline-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

219.01994 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.02722 142.4
[M+Na]+ 242.00916 155.9
[M-H]- 218.01266 143.7
[M+NH4]+ 237.05376 158.5
[M+K]+ 257.98310 149.9
[M+H-H2O]+ 202.01720 129.0
[M+HCOO]- 264.01814 156.2
[M+CH3COO]- 278.03379 154.2
[M+Na-2H]- 239.99461 150.0
[M]+ 219.01939 141.1
[M]- 219.02049 141.1
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

No patent data available for this compound.