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
2
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 174.1
[M+Na]+ 353.09487 179.6
[M-H]- 329.09837 180.2
[M+NH4]+ 348.13947 189.5
[M+K]+ 369.06881 175.5
[M+H-H2O]+ 313.10291 168.2
[M+HCOO]- 375.10385 182.3
[M+CH3COO]- 389.11950 204.6
[M+Na-2H]- 351.08032 173.7
[M]+ 330.10510 177.4
[M]- 330.10620 177.4
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