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]+ 325.179826 179.2
[M+Na]+ 347.161768 183.7
[M-H]- 323.165274 188.0
[M+NH4]+ 342.206373 194.4
[M+K]+ 363.135708 180.2
[M+H-H2O]+ 307.169810 170.0
[M+HCOO]- 369.170751 198.0
[M+CH3COO]- 383.186401 207.2
[M+Na-2H]- 345.147216 181.2
[M]+ 324.17200142 177.6
[M]- 324.17309858 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