CID 18183

3021-31-6

Structural Information

Molecular Formula
C16H23ClO3S
SMILES
CC(C)(C)C1=CC=C(C=C1)OC2CCCCC2OS(=O)Cl
InChI
InChI=1S/C16H23ClO3S/c1-16(2,3)12-8-10-13(11-9-12)19-14-6-4-5-7-15(14)20-21(17)18/h8-11,14-15H,4-7H2,1-3H3
InChIKey
WAAUJYWIXWENKQ-UHFFFAOYSA-N
Compound name
1-tert-butyl-4-(2-chlorosulfinyloxycyclohexyl)oxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

330.10565 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.11293 174.6
[M+Na]+ 353.09487 186.3
[M+NH4]+ 348.13947 183.0
[M+K]+ 369.06881 177.8
[M-H]- 329.09837 177.8
[M+Na-2H]- 351.08032 180.4
[M]+ 330.10510 178.0
[M]- 330.10620 178.0
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