CID 11019966

3-chloro-7-methyl-quinoxaline-2-carbonitrile

Structural Information

Molecular Formula
C10H6ClN3
SMILES
CC1=CC2=C(C=C1)N=C(C(=N2)C#N)Cl
InChI
InChI=1S/C10H6ClN3/c1-6-2-3-7-8(4-6)13-9(5-12)10(11)14-7/h2-4H,1H3
InChIKey
PWIFAVJGCRSXCN-UHFFFAOYSA-N
Compound name
3-chloro-7-methylquinoxaline-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

203.02502 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.03230 140.3
[M+Na]+ 226.01424 153.9
[M-H]- 202.01774 141.6
[M+NH4]+ 221.05884 157.1
[M+K]+ 241.98818 147.3
[M+H-H2O]+ 186.02228 127.0
[M+HCOO]- 248.02322 153.9
[M+CH3COO]- 262.03887 152.2
[M+Na-2H]- 223.99969 147.8
[M]+ 203.02447 137.8
[M]- 203.02557 137.8
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.