CID 43446376

1154397-63-3

Structural Information

Molecular Formula
C7H6N2O4S
SMILES
C=CS(=O)(=O)C1=CN=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C7H6N2O4S/c1-2-14(12,13)6-3-4-7(8-5-6)9(10)11/h2-5H,1H2
InChIKey
SPHBFESLIAWSIK-UHFFFAOYSA-N
Compound name
5-ethenylsulfonyl-2-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.00482 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.01210 139.8
[M+Na]+ 236.99404 148.4
[M-H]- 212.99754 142.9
[M+NH4]+ 232.03864 156.6
[M+K]+ 252.96798 141.4
[M+H-H2O]+ 197.00208 138.1
[M+HCOO]- 259.00302 158.9
[M+CH3COO]- 273.01867 175.5
[M+Na-2H]- 234.97949 147.6
[M]+ 214.00427 140.2
[M]- 214.00537 140.2
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.