CID 18782221

2,4-dimethoxy-3-methylbenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C9H11ClO4S
SMILES
CC1=C(C=CC(=C1OC)S(=O)(=O)Cl)OC
InChI
InChI=1S/C9H11ClO4S/c1-6-7(13-2)4-5-8(9(6)14-3)15(10,11)12/h4-5H,1-3H3
InChIKey
JLMLZRXVGLMDQX-UHFFFAOYSA-N
Compound name
2,4-dimethoxy-3-methylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

250.00665 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.013926 146.3
[M+Na]+ 272.995868 157.6
[M-H]- 248.999374 151.4
[M+NH4]+ 268.040473 165.7
[M+K]+ 288.969808 154.3
[M+H-H2O]+ 233.003910 142.2
[M+HCOO]- 295.004851 160.8
[M+CH3COO]- 309.020501 189.3
[M+Na-2H]- 270.981316 150.0
[M]+ 250.00610142 155.3
[M]- 250.00719858 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

patents stripe