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

17
Patents

250.00665 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.01393 147.3
[M+Na]+ 272.99587 157.7
[M-H]- 248.99937 152.0
[M+NH4]+ 268.04047 166.4
[M+K]+ 288.96981 154.4
[M+H-H2O]+ 233.00391 142.9
[M+HCOO]- 295.00485 161.8
[M+CH3COO]- 309.02050 188.1
[M+Na-2H]- 270.98132 151.5
[M]+ 250.00610 155.9
[M]- 250.00720 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