CID 21943953

1,1-bis(3-cyclohexyl-4-hydroxyphenyl)cyclohexane

Structural Information

Molecular Formula
C30H40O2
SMILES
C1CCC(CC1)C2=C(C=CC(=C2)C3(CCCCC3)C4=CC(=C(C=C4)O)C5CCCCC5)O
InChI
InChI=1S/C30H40O2/c31-28-16-14-24(20-26(28)22-10-4-1-5-11-22)30(18-8-3-9-19-30)25-15-17-29(32)27(21-25)23-12-6-2-7-13-23/h14-17,20-23,31-32H,1-13,18-19H2
InChIKey
DNCLEPRFPJLBTQ-UHFFFAOYSA-N
Compound name
2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxyphenyl)cyclohexyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1759
Patents

432.30283 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.31011 212.1
[M+Na]+ 455.29205 209.9
[M-H]- 431.29555 221.2
[M+NH4]+ 450.33665 220.1
[M+K]+ 471.26599 202.7
[M+H-H2O]+ 415.30009 199.7
[M+HCOO]- 477.30103 218.9
[M+CH3COO]- 491.31668 215.9
[M+Na-2H]- 453.27750 206.4
[M]+ 432.30228 196.4
[M]- 432.30338 196.4
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