CID 13875043

1-chloro-4-methanesulfonylbutane

Structural Information

Molecular Formula
C5H11ClO2S
SMILES
CS(=O)(=O)CCCCCl
InChI
InChI=1S/C5H11ClO2S/c1-9(7,8)5-3-2-4-6/h2-5H2,1H3
InChIKey
ISOQQDOAZADWAC-UHFFFAOYSA-N
Compound name
1-chloro-4-methylsulfonylbutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

170.01683 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.02411 131.1
[M+Na]+ 193.00605 140.2
[M-H]- 169.00955 132.1
[M+NH4]+ 188.05065 153.1
[M+K]+ 208.97999 137.2
[M+H-H2O]+ 153.01409 128.0
[M+HCOO]- 215.01503 144.6
[M+CH3COO]- 229.03068 174.5
[M+Na-2H]- 190.99150 135.3
[M]+ 170.01628 136.6
[M]- 170.01738 136.6
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

patents stripe