CID 55279671

5-nitrofuran-2-sulfonyl chloride

Structural Information

Molecular Formula
C4H2ClNO5S
SMILES
C1=C(OC(=C1)S(=O)(=O)Cl)[N+](=O)[O-]
InChI
InChI=1S/C4H2ClNO5S/c5-12(9,10)4-2-1-3(11-4)6(7)8/h1-2H
InChIKey
PWLLCVBYQASVNR-UHFFFAOYSA-N
Compound name
5-nitrofuran-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.93422 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.94150 136.9
[M+Na]+ 233.92344 146.6
[M-H]- 209.92694 142.3
[M+NH4]+ 228.96804 156.4
[M+K]+ 249.89738 141.2
[M+H-H2O]+ 193.93148 138.0
[M+HCOO]- 255.93242 153.5
[M+CH3COO]- 269.94807 171.0
[M+Na-2H]- 231.90889 144.5
[M]+ 210.93367 140.9
[M]- 210.93477 140.9
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.