CID 79530360

1-(chloromethoxy)-4-methanesulfonylbenzene

Structural Information

Molecular Formula
C8H9ClO3S
SMILES
CS(=O)(=O)C1=CC=C(C=C1)OCCl
InChI
InChI=1S/C8H9ClO3S/c1-13(10,11)8-4-2-7(3-5-8)12-6-9/h2-5H,6H2,1H3
InChIKey
MAGJPGSFMJAIMT-UHFFFAOYSA-N
Compound name
1-(chloromethoxy)-4-methylsulfonylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.9961 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.003376 140.6
[M+Na]+ 242.985318 150.8
[M-H]- 218.988824 145.2
[M+NH4]+ 238.029923 160.7
[M+K]+ 258.959258 147.1
[M+H-H2O]+ 202.993360 136.3
[M+HCOO]- 264.994301 155.2
[M+CH3COO]- 279.009951 181.9
[M+Na-2H]- 240.970766 145.7
[M]+ 219.99555142 146.9
[M]- 219.99664858 146.9
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.