CID 72208308

4-cyanopiperidine-1-sulfonyl chloride

Structural Information

Molecular Formula
C6H9ClN2O2S
SMILES
C1CN(CCC1C#N)S(=O)(=O)Cl
InChI
InChI=1S/C6H9ClN2O2S/c7-12(10,11)9-3-1-6(5-8)2-4-9/h6H,1-4H2
InChIKey
INTMACYJHWGRBL-UHFFFAOYSA-N
Compound name
4-cyanopiperidine-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.00732 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.01460 144.2
[M+Na]+ 230.99654 154.3
[M-H]- 207.00004 146.8
[M+NH4]+ 226.04114 161.3
[M+K]+ 246.97048 151.0
[M+H-H2O]+ 191.00458 133.1
[M+HCOO]- 253.00552 151.2
[M+CH3COO]- 267.02117 191.2
[M+Na-2H]- 228.98199 147.1
[M]+ 208.00677 139.6
[M]- 208.00787 139.6
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