CID 3040873

Quinoxaline, 2-(4-(methylthio)phenyl)-

Structural Information

Molecular Formula
C15H12N2S
SMILES
CSC1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2
InChI
InChI=1S/C15H12N2S/c1-18-12-8-6-11(7-9-12)15-10-16-13-4-2-3-5-14(13)17-15/h2-10H,1H3
InChIKey
FTPYEGSDQHXEHH-UHFFFAOYSA-N
Compound name
2-(4-methylsulfanylphenyl)quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.07211 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.07939 153.9
[M+Na]+ 275.06133 164.2
[M-H]- 251.06483 159.2
[M+NH4]+ 270.10593 170.2
[M+K]+ 291.03527 158.0
[M+H-H2O]+ 235.06937 145.5
[M+HCOO]- 297.07031 170.3
[M+CH3COO]- 311.08596 166.2
[M+Na-2H]- 273.04678 160.4
[M]+ 252.07156 156.2
[M]- 252.07266 156.2
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.