CID 16791394

4,5-dimethoxy-2-methylbenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C9H11ClO4S
SMILES
CC1=CC(=C(C=C1S(=O)(=O)Cl)OC)OC
InChI
InChI=1S/C9H11ClO4S/c1-6-4-7(13-2)8(14-3)5-9(6)15(10,11)12/h4-5H,1-3H3
InChIKey
IRHPZJPWXHAKBI-UHFFFAOYSA-N
Compound name
4,5-dimethoxy-2-methylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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 151.2
[M+Na]+ 272.99587 164.2
[M+NH4]+ 268.04047 158.8
[M+K]+ 288.96981 156.9
[M-H]- 248.99937 151.8
[M+Na-2H]- 270.98132 156.2
[M]+ 250.00610 154.0
[M]- 250.00720 154.0
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