CID 44149342

Phenol, thiobis(tetrapropylene-, calcium salt

Structural Information

Molecular Formula
C12H16OS
SMILES
CC1CC2=C(CC(S1)C)C(=CC=C2)O
InChI
InChI=1S/C12H16OS/c1-8-6-10-4-3-5-12(13)11(10)7-9(2)14-8/h3-5,8-9,13H,6-7H2,1-2H3
InChIKey
UCBICANXWJOXDL-UHFFFAOYSA-N
Compound name
2,4-dimethyl-1,2,4,5-tetrahydro-3-benzothiepin-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.0922 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.09948 142.0
[M+Na]+ 231.08142 152.8
[M+NH4]+ 226.12602 151.4
[M+K]+ 247.05536 145.7
[M-H]- 207.08492 145.0
[M+Na-2H]- 229.06687 147.3
[M]+ 208.09165 145.0
[M]- 208.09275 145.0
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

No patent data available for this compound.