CID 55279363

2-cyanopyridine-3-sulfonyl chloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.96037 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.96765 143.3
[M+Na]+ 224.94959 156.1
[M-H]- 200.95309 146.6
[M+NH4]+ 219.99419 160.8
[M+K]+ 240.92353 152.2
[M+H-H2O]+ 184.95763 131.8
[M+HCOO]- 246.95857 154.0
[M+CH3COO]- 260.97422 190.2
[M+Na-2H]- 222.93504 148.2
[M]+ 201.95982 142.2
[M]- 201.96092 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.