CID 130690821

5-nitropyridine-3-sulfonyl fluoride

Structural Information

Molecular Formula
C5H3FN2O4S
SMILES
C1=C(C=NC=C1S(=O)(=O)F)[N+](=O)[O-]
InChI
InChI=1S/C5H3FN2O4S/c6-13(11,12)5-1-4(8(9)10)2-7-3-5/h1-3H
InChIKey
CAHBXTJMZHFJCS-UHFFFAOYSA-N
Compound name
5-nitropyridine-3-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.97975 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.98703 133.0
[M+Na]+ 228.96897 142.2
[M-H]- 204.97247 135.0
[M+NH4]+ 224.01357 150.1
[M+K]+ 244.94291 135.8
[M+H-H2O]+ 188.97701 130.7
[M+HCOO]- 250.97795 151.6
[M+CH3COO]- 264.99360 173.2
[M+Na-2H]- 226.95442 141.3
[M]+ 205.97920 132.3
[M]- 205.98030 132.4
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

No patent data available for this compound.