CID 52908279

4-(chloromethyl)-1-methanesulfonyl-2-methoxybenzene

Structural Information

Molecular Formula
C9H11ClO3S
SMILES
COC1=C(C=CC(=C1)CCl)S(=O)(=O)C
InChI
InChI=1S/C9H11ClO3S/c1-13-8-5-7(6-10)3-4-9(8)14(2,11)12/h3-5H,6H2,1-2H3
InChIKey
SIXAKSBTOCXCSL-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-methoxy-1-methylsulfonylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.01175 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.01903 148.2
[M+Na]+ 257.00097 161.3
[M+NH4]+ 252.04557 156.4
[M+K]+ 272.97491 153.3
[M-H]- 233.00447 149.2
[M+Na-2H]- 254.98642 153.9
[M]+ 234.01120 151.2
[M]- 234.01230 151.2
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.