CID 22950399

Carbonic dichloride, polymer with 4,4'-cyclohexylidenebis[phenol]

Structural Information

Molecular Formula
C21H24O3
SMILES
CC(=O)OC1=CC=C(C=C1)C2(CCCCC2)C3=CC=C(C=C3)OC
InChI
InChI=1S/C21H24O3/c1-16(22)24-20-12-8-18(9-13-20)21(14-4-3-5-15-21)17-6-10-19(23-2)11-7-17/h6-13H,3-5,14-15H2,1-2H3
InChIKey
ONFJAGDVTKCUAE-UHFFFAOYSA-N
Compound name
[4-[1-(4-methoxyphenyl)cyclohexyl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

863
Patents

324.17255 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.17983 179.2
[M+Na]+ 347.16177 183.7
[M-H]- 323.16527 188.0
[M+NH4]+ 342.20637 194.4
[M+K]+ 363.13571 180.2
[M+H-H2O]+ 307.16981 170.0
[M+HCOO]- 369.17075 198.0
[M+CH3COO]- 383.18640 207.2
[M+Na-2H]- 345.14722 181.2
[M]+ 324.17200 177.6
[M]- 324.17310 177.6
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