CID 47003190

6-cyanopyridine-3-sulfonyl chloride

Structural Information

Molecular Formula
C6H3ClN2O2S
SMILES
C1=CC(=NC=C1S(=O)(=O)Cl)C#N
InChI
InChI=1S/C6H3ClN2O2S/c7-12(10,11)6-2-1-5(3-8)9-4-6/h1-2,4H
InChIKey
PIOYFAYYJPORLD-UHFFFAOYSA-N
Compound name
6-cyanopyridine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

201.96037 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.967646 143.3
[M+Na]+ 224.949588 156.1
[M-H]- 200.953094 146.6
[M+NH4]+ 219.994193 160.8
[M+K]+ 240.923528 152.2
[M+H-H2O]+ 184.957630 131.8
[M+HCOO]- 246.958571 154.0
[M+CH3COO]- 260.974221 190.2
[M+Na-2H]- 222.935036 148.2
[M]+ 201.95982142 142.2
[M]- 201.96091858 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

patents stripe