CID 132398578

2166929-18-4

Structural Information

Molecular Formula
C8H12ClNO3S
SMILES
C1COCCC1C(CS(=O)(=O)Cl)C#N
InChI
InChI=1S/C8H12ClNO3S/c9-14(11,12)6-8(5-10)7-1-3-13-4-2-7/h7-8H,1-4,6H2
InChIKey
BZEZYPKLXCTLQE-UHFFFAOYSA-N
Compound name
2-cyano-2-(oxan-4-yl)ethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.02264 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.02992 151.3
[M+Na]+ 260.01186 160.0
[M-H]- 236.01536 155.5
[M+NH4]+ 255.05646 167.3
[M+K]+ 275.98580 157.7
[M+H-H2O]+ 220.01990 140.6
[M+HCOO]- 282.02084 157.8
[M+CH3COO]- 296.03649 195.8
[M+Na-2H]- 257.99731 154.2
[M]+ 237.02209 148.1
[M]- 237.02319 148.1
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.