CID 371687

188429-02-9

Structural Information

Molecular Formula
C11H8N2O4S
SMILES
C1=CC=C(C=C1)S(=O)(=O)C2=C(C=CC=N2)[N+](=O)[O-]
InChI
InChI=1S/C11H8N2O4S/c14-13(15)10-7-4-8-12-11(10)18(16,17)9-5-2-1-3-6-9/h1-8H
InChIKey
QBXNQOWQGUPAEO-UHFFFAOYSA-N
Compound name
2-(benzenesulfonyl)-3-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

22
Patents

264.02048 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.02776 153.3
[M+Na]+ 287.00970 161.0
[M-H]- 263.01320 159.4
[M+NH4]+ 282.05430 167.6
[M+K]+ 302.98364 153.1
[M+H-H2O]+ 247.01774 150.1
[M+HCOO]- 309.01868 172.4
[M+CH3COO]- 323.03433 184.6
[M+Na-2H]- 284.99515 161.9
[M]+ 264.01993 153.3
[M]- 264.02103 153.3
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