CID 251141

2-(2-thienyl)quinoxaline

Structural Information

Molecular Formula
C12H8N2S
SMILES
C1=CC=C2C(=C1)N=CC(=N2)C3=CC=CS3
InChI
InChI=1S/C12H8N2S/c1-2-5-10-9(4-1)13-8-11(14-10)12-6-3-7-15-12/h1-8H
InChIKey
ADGDUIDDAMQKAG-UHFFFAOYSA-N
Compound name
2-thiophen-2-ylquinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

54
Patents

212.04082 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.04810 141.6
[M+Na]+ 235.03004 153.8
[M-H]- 211.03354 147.9
[M+NH4]+ 230.07464 161.5
[M+K]+ 251.00398 148.6
[M+H-H2O]+ 195.03808 134.5
[M+HCOO]- 257.03902 161.6
[M+CH3COO]- 271.05467 155.9
[M+Na-2H]- 233.01549 148.3
[M]+ 212.04027 145.1
[M]- 212.04137 145.1
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

patents stripe