CID 130782119

1-cyanocyclopentane-1-sulfonyl chloride

Structural Information

Molecular Formula
C6H8ClNO2S
SMILES
C1CCC(C1)(C#N)S(=O)(=O)Cl
InChI
InChI=1S/C6H8ClNO2S/c7-11(9,10)6(5-8)3-1-2-4-6/h1-4H2
InChIKey
CCNJVYJCBNPPMT-UHFFFAOYSA-N
Compound name
1-cyanocyclopentane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.99643 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.00371 146.2
[M+Na]+ 215.98565 158.1
[M-H]- 191.98915 150.9
[M+NH4]+ 211.03025 168.6
[M+K]+ 231.95959 153.7
[M+H-H2O]+ 175.99369 137.0
[M+HCOO]- 237.99463 156.5
[M+CH3COO]- 252.01028 187.2
[M+Na-2H]- 213.97110 149.7
[M]+ 192.99588 143.4
[M]- 192.99698 143.4
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.