CID 131593247

4-nitropyridine-2-sulfonyl fluoride

Structural Information

Molecular Formula
C5H3FN2O4S
SMILES
C1=CN=C(C=C1[N+](=O)[O-])S(=O)(=O)F
InChI
InChI=1S/C5H3FN2O4S/c6-13(11,12)5-3-4(8(9)10)1-2-7-5/h1-3H
InChIKey
JJXBFFICVHJOOL-UHFFFAOYSA-N
Compound name
4-nitropyridine-2-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.97975 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.987026 133.0
[M+Na]+ 228.968968 142.2
[M-H]- 204.972474 135.0
[M+NH4]+ 224.013573 150.1
[M+K]+ 244.942908 135.8
[M+H-H2O]+ 188.977010 130.7
[M+HCOO]- 250.977951 151.6
[M+CH3COO]- 264.993601 173.2
[M+Na-2H]- 226.954416 141.3
[M]+ 205.97920142 132.3
[M]- 205.98029858 132.3
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.