CID 10679191

7205-89-2

Structural Information

Molecular Formula
C8H9ClOS
SMILES
COC1=CC=C(C=C1)SCCl
InChI
InChI=1S/C8H9ClOS/c1-10-7-2-4-8(5-3-7)11-6-9/h2-5H,6H2,1H3
InChIKey
GEOWMGXEZOADNA-UHFFFAOYSA-N
Compound name
1-(chloromethylsulfanyl)-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

188.00627 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.01355 135.5
[M+Na]+ 210.99549 149.8
[M+NH4]+ 206.04009 145.9
[M+K]+ 226.96943 139.8
[M-H]- 186.99899 138.8
[M+Na-2H]- 208.98094 143.1
[M]+ 188.00572 139.4
[M]- 188.00682 139.4
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