CID 171397122

At43085

Structural Information

Molecular Formula
C10H11ClO2S
SMILES
C1CC2=C(C(=CC=C2)CCl)S(=O)(=O)C1
InChI
InChI=1S/C10H11ClO2S/c11-7-9-4-1-3-8-5-2-6-14(12,13)10(8)9/h1,3-4H,2,5-7H2
InChIKey
DVFGRMGJGPKTIQ-UHFFFAOYSA-N
Compound name
8-(chloromethyl)-3,4-dihydro-2H-thiochromene 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.01683 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.02411 141.8
[M+Na]+ 253.00605 152.2
[M-H]- 229.00955 146.8
[M+NH4]+ 248.05065 164.6
[M+K]+ 268.97999 147.4
[M+H-H2O]+ 213.01409 138.1
[M+HCOO]- 275.01503 154.3
[M+CH3COO]- 289.03068 184.4
[M+Na-2H]- 250.99150 147.5
[M]+ 230.01628 145.0
[M]- 230.01738 145.0
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.