CID 84803956

1785309-08-1

Structural Information

Molecular Formula
C9H11ClO4S
SMILES
CC1=C(C(=C(C=C1)OC)S(=O)(=O)Cl)OC
InChI
InChI=1S/C9H11ClO4S/c1-6-4-5-7(13-2)9(8(6)14-3)15(10,11)12/h4-5H,1-3H3
InChIKey
RBMDAYLTRGXOKE-UHFFFAOYSA-N
Compound name
2,6-dimethoxy-3-methylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.00665 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.01393 146.3
[M+Na]+ 272.99587 157.6
[M-H]- 248.99937 151.4
[M+NH4]+ 268.04047 165.7
[M+K]+ 288.96981 154.3
[M+H-H2O]+ 233.00391 142.2
[M+HCOO]- 295.00485 160.8
[M+CH3COO]- 309.02050 189.3
[M+Na-2H]- 270.98132 150.0
[M]+ 250.00610 155.3
[M]- 250.00720 155.3
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.