CID 132398892

5-oxohexane-1-sulfonyl chloride

Structural Information

Molecular Formula
C6H11ClO3S
SMILES
CC(=O)CCCCS(=O)(=O)Cl
InChI
InChI=1S/C6H11ClO3S/c1-6(8)4-2-3-5-11(7,9)10/h2-5H2,1H3
InChIKey
MUJVBLKOOVZRLG-UHFFFAOYSA-N
Compound name
5-oxohexane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

198.01175 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.01903 137.0
[M+Na]+ 221.00097 145.6
[M-H]- 197.00447 137.9
[M+NH4]+ 216.04557 157.8
[M+K]+ 236.97491 142.7
[M+H-H2O]+ 181.00901 133.8
[M+HCOO]- 243.00995 149.7
[M+CH3COO]- 257.02560 179.3
[M+Na-2H]- 218.98642 139.9
[M]+ 198.01120 143.2
[M]- 198.01230 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