CID 75480697

(1-cyanocyclobutyl)methanesulfonyl chloride

Structural Information

Molecular Formula
C6H8ClNO2S
SMILES
C1CC(C1)(CS(=O)(=O)Cl)C#N
InChI
InChI=1S/C6H8ClNO2S/c7-11(9,10)5-6(4-8)2-1-3-6/h1-3,5H2
InChIKey
KAXFPLHSFGGLFV-UHFFFAOYSA-N
Compound name
(1-cyanocyclobutyl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 133.5
[M+Na]+ 215.98565 142.7
[M-H]- 191.98915 138.0
[M+NH4]+ 211.03025 148.3
[M+K]+ 231.95959 143.4
[M+H-H2O]+ 175.99369 119.9
[M+HCOO]- 237.99463 143.0
[M+CH3COO]- 252.01028 191.9
[M+Na-2H]- 213.97110 138.6
[M]+ 192.99588 139.6
[M]- 192.99698 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

No patent data available for this compound.