CID 20689151

4-methoxy-2,3-dimethylbenzenesulfonyl chloride

Structural Information

Molecular Formula
C9H11ClO3S
SMILES
CC1=C(C=CC(=C1C)S(=O)(=O)Cl)OC
InChI
InChI=1S/C9H11ClO3S/c1-6-7(2)9(14(10,11)12)5-4-8(6)13-3/h4-5H,1-3H3
InChIKey
WYOJSJPQGYIIIR-UHFFFAOYSA-N
Compound name
4-methoxy-2,3-dimethylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

234.01175 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.019026 143.2
[M+Na]+ 257.000968 154.7
[M-H]- 233.004474 148.3
[M+NH4]+ 252.045573 163.3
[M+K]+ 272.974908 150.8
[M+H-H2O]+ 217.009010 139.3
[M+HCOO]- 279.009951 157.4
[M+CH3COO]- 293.025601 187.2
[M+Na-2H]- 254.986416 146.6
[M]+ 234.01120142 150.7
[M]- 234.01229858 150.7
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