CID 16090697

Quinoxaline-5-sulfonyl chloride

Structural Information

Molecular Formula
C8H5ClN2O2S
SMILES
C1=CC2=NC=CN=C2C(=C1)S(=O)(=O)Cl
InChI
InChI=1S/C8H5ClN2O2S/c9-14(12,13)7-3-1-2-6-8(7)11-5-4-10-6/h1-5H
InChIKey
NAKORIYAIZIQHQ-UHFFFAOYSA-N
Compound name
quinoxaline-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

227.97603 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.98331 141.6
[M+Na]+ 250.96525 153.6
[M-H]- 226.96875 144.3
[M+NH4]+ 246.00985 159.7
[M+K]+ 266.93919 148.7
[M+H-H2O]+ 210.97329 135.9
[M+HCOO]- 272.97423 153.3
[M+CH3COO]- 286.98988 182.7
[M+Na-2H]- 248.95070 150.0
[M]+ 227.97548 146.4
[M]- 227.97658 146.4
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

patents stripe