CID 3040873

53066-80-1

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]+ 253.079386 153.9
[M+Na]+ 275.061328 164.2
[M-H]- 251.064834 159.2
[M+NH4]+ 270.105933 170.2
[M+K]+ 291.035268 158.0
[M+H-H2O]+ 235.069370 145.5
[M+HCOO]- 297.070311 170.3
[M+CH3COO]- 311.085961 166.2
[M+Na-2H]- 273.046776 160.4
[M]+ 252.07156142 156.2
[M]- 252.07265858 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.