CID 125515489

2089255-95-6

Structural Information

Molecular Formula
C10H11ClO2S
SMILES
C=CCCC1=CC=C(C=C1)S(=O)(=O)Cl
InChI
InChI=1S/C10H11ClO2S/c1-2-3-4-9-5-7-10(8-6-9)14(11,12)13/h2,5-8H,1,3-4H2
InChIKey
XXRZZFWETWZDON-UHFFFAOYSA-N
Compound name
4-but-3-enylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.01683 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.02411 149.1
[M+Na]+ 253.00605 162.2
[M+NH4]+ 248.05065 157.5
[M+K]+ 268.97999 153.1
[M-H]- 229.00955 150.3
[M+Na-2H]- 250.99150 155.1
[M]+ 230.01628 152.1
[M]- 230.01738 152.1
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.