CID 86812192

3-cyanocyclopentane-1-sulfonyl chloride

Structural Information

Molecular Formula
C6H8ClNO2S
SMILES
C1CC(CC1C#N)S(=O)(=O)Cl
InChI
InChI=1S/C6H8ClNO2S/c7-11(9,10)6-2-1-5(3-6)4-8/h5-6H,1-3H2
InChIKey
OXCYOVKRXSQRRR-UHFFFAOYSA-N
Compound name
3-cyanocyclopentane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

192.99643 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.00371 146.1
[M+Na]+ 215.98565 157.8
[M-H]- 191.98915 150.7
[M+NH4]+ 211.03025 166.9
[M+K]+ 231.95959 153.9
[M+H-H2O]+ 175.99369 136.1
[M+HCOO]- 237.99463 156.3
[M+CH3COO]- 252.01028 188.6
[M+Na-2H]- 213.97110 147.6
[M]+ 192.99588 143.2
[M]- 192.99698 143.2
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