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]+ 221.00338 140.6
[M+Na]+ 242.98532 150.8
[M-H]- 218.98882 145.2
[M+NH4]+ 238.02992 160.7
[M+K]+ 258.95926 147.1
[M+H-H2O]+ 202.99336 136.3
[M+HCOO]- 264.99430 155.2
[M+CH3COO]- 279.00995 181.9
[M+Na-2H]- 240.97077 145.7
[M]+ 219.99555 146.9
[M]- 219.99665 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.