CID 138040086

2-cyanofuran-3-sulfonyl chloride

Structural Information

Molecular Formula
C5H2ClNO3S
SMILES
C1=COC(=C1S(=O)(=O)Cl)C#N
InChI
InChI=1S/C5H2ClNO3S/c6-11(8,9)5-1-2-10-4(5)3-7/h1-2H
InChIKey
GEURAJMNHKWGKN-UHFFFAOYSA-N
Compound name
2-cyanofuran-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.9444 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.95168 141.4
[M+Na]+ 213.93362 155.0
[M-H]- 189.93712 146.9
[M+NH4]+ 208.97822 161.1
[M+K]+ 229.90756 152.7
[M+H-H2O]+ 173.94166 131.1
[M+HCOO]- 235.94260 153.8
[M+CH3COO]- 249.95825 187.1
[M+Na-2H]- 211.91907 145.8
[M]+ 190.94385 142.2
[M]- 190.94495 142.2
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.