CID 10679191

1-[(chloromethyl)sulfanyl]-4-methoxybenzene

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

44
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 133.7
[M+Na]+ 210.99549 143.4
[M-H]- 186.99899 138.0
[M+NH4]+ 206.04009 155.3
[M+K]+ 226.96943 139.5
[M+H-H2O]+ 171.00353 129.4
[M+HCOO]- 233.00447 149.1
[M+CH3COO]- 247.02012 179.2
[M+Na-2H]- 208.98094 138.0
[M]+ 188.00572 139.1
[M]- 188.00682 139.1
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

patents stripe