CID 131129151

4-cyanooxane-4-sulfonyl chloride

Structural Information

Molecular Formula
C6H8ClNO3S
SMILES
C1COCCC1(C#N)S(=O)(=O)Cl
InChI
InChI=1S/C6H8ClNO3S/c7-12(9,10)6(5-8)1-3-11-4-2-6/h1-4H2
InChIKey
STUXETCQCLREEJ-UHFFFAOYSA-N
Compound name
4-cyanooxane-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.99135 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.99863 142.6
[M+Na]+ 231.98057 153.3
[M-H]- 207.98407 147.4
[M+NH4]+ 227.02517 161.5
[M+K]+ 247.95451 150.8
[M+H-H2O]+ 191.98861 133.2
[M+HCOO]- 253.98955 150.7
[M+CH3COO]- 268.00520 189.3
[M+Na-2H]- 229.96602 148.8
[M]+ 208.99080 139.6
[M]- 208.99190 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.