CID 5168879

5-tert-butyl-2-methyl-benzenesulfonyl chloride

Structural Information

Molecular Formula
C11H15ClO2S
SMILES
CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)Cl
InChI
InChI=1S/C11H15ClO2S/c1-8-5-6-9(11(2,3)4)7-10(8)15(12,13)14/h5-7H,1-4H3
InChIKey
OVTOPAMDBHJZNS-UHFFFAOYSA-N
Compound name
5-tert-butyl-2-methylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

246.04813 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.05541 150.0
[M+Na]+ 269.03735 160.4
[M-H]- 245.04085 154.8
[M+NH4]+ 264.08195 169.6
[M+K]+ 285.01129 156.0
[M+H-H2O]+ 229.04539 146.2
[M+HCOO]- 291.04633 161.9
[M+CH3COO]- 305.06198 189.8
[M+Na-2H]- 267.02280 153.9
[M]+ 246.04758 155.9
[M]- 246.04868 155.9
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