CID 20108852

5-isopropyl-4-methoxy-2-methyl-benzenesulfonyl chloride

Structural Information

Molecular Formula
C11H15ClO3S
SMILES
CC1=CC(=C(C=C1S(=O)(=O)Cl)C(C)C)OC
InChI
InChI=1S/C11H15ClO3S/c1-7(2)9-6-11(16(12,13)14)8(3)5-10(9)15-4/h5-7H,1-4H3
InChIKey
DIDRZYFYDMMUJT-UHFFFAOYSA-N
Compound name
4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

262.04303 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.05031 156.9
[M+Na]+ 285.03225 169.6
[M+NH4]+ 280.07685 164.7
[M+K]+ 301.00619 162.1
[M-H]- 261.03575 157.7
[M+Na-2H]- 283.01770 161.6
[M]+ 262.04248 159.8
[M]- 262.04358 159.8
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