CID 5159894

4-tert-butylphenyl methanesulfonate

Structural Information

Molecular Formula
C11H16O3S
SMILES
CC(C)(C)C1=CC=C(C=C1)OS(=O)(=O)C
InChI
InChI=1S/C11H16O3S/c1-11(2,3)9-5-7-10(8-6-9)14-15(4,12)13/h5-8H,1-4H3
InChIKey
AVIDGKOMVYPADX-UHFFFAOYSA-N
Compound name
(4-tert-butylphenyl) methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

228.08202 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.08930 148.7
[M+Na]+ 251.07124 157.5
[M-H]- 227.07474 153.0
[M+NH4]+ 246.11584 167.8
[M+K]+ 267.04518 155.3
[M+H-H2O]+ 211.07928 143.6
[M+HCOO]- 273.08022 165.4
[M+CH3COO]- 287.09587 186.8
[M+Na-2H]- 249.05669 153.7
[M]+ 228.08147 153.8
[M]- 228.08257 153.8
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

No patent data available for this compound.