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

64
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

literature stripe

Patent stripe

patents stripe