CID 23211153

(3-methoxyphenyl)methanesulfonyl chloride

Structural Information

Molecular Formula
C8H9ClO3S
SMILES
COC1=CC=CC(=C1)CS(=O)(=O)Cl
InChI
InChI=1S/C8H9ClO3S/c1-12-8-4-2-3-7(5-8)6-13(9,10)11/h2-5H,6H2,1H3
InChIKey
HIBDAKCYUPOBNR-UHFFFAOYSA-N
Compound name
(3-methoxyphenyl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

219.9961 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.00338 143.7
[M+Na]+ 242.98532 156.7
[M+NH4]+ 238.02992 152.1
[M+K]+ 258.95926 148.7
[M-H]- 218.98882 144.8
[M+Na-2H]- 240.97077 149.9
[M]+ 219.99555 146.7
[M]- 219.99665 146.7
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