CID 72218706

(3,5-dimethoxyphenyl)methanesulfonyl chloride

Structural Information

Molecular Formula
C9H11ClO4S
SMILES
COC1=CC(=CC(=C1)CS(=O)(=O)Cl)OC
InChI
InChI=1S/C9H11ClO4S/c1-13-8-3-7(6-15(10,11)12)4-9(5-8)14-2/h3-5H,6H2,1-2H3
InChIKey
ACZRENUAHPAJGI-UHFFFAOYSA-N
Compound name
(3,5-dimethoxyphenyl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

250.00665 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.013926 147.3
[M+Na]+ 272.995868 157.7
[M-H]- 248.999374 152.0
[M+NH4]+ 268.040473 166.4
[M+K]+ 288.969808 154.4
[M+H-H2O]+ 233.003910 142.9
[M+HCOO]- 295.004851 161.8
[M+CH3COO]- 309.020501 188.1
[M+Na-2H]- 270.981316 151.5
[M]+ 250.00610142 155.9
[M]- 250.00719858 155.9
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

patents stripe