CID 71051

P,p'-octylidenebisphenol

Structural Information

Molecular Formula
C20H26O2
SMILES
CCCCCCCC(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
InChI
InChI=1S/C20H26O2/c1-2-3-4-5-6-7-20(16-8-12-18(21)13-9-16)17-10-14-19(22)15-11-17/h8-15,20-22H,2-7H2,1H3
InChIKey
NBKVULRGDSYCGP-UHFFFAOYSA-N
Compound name
4-[1-(4-hydroxyphenyl)octyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1575
Patents

298.19327 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.20055 174.6
[M+Na]+ 321.18249 179.1
[M-H]- 297.18599 177.8
[M+NH4]+ 316.22709 188.3
[M+K]+ 337.15643 173.7
[M+H-H2O]+ 281.19053 166.8
[M+HCOO]- 343.19147 193.3
[M+CH3COO]- 357.20712 202.1
[M+Na-2H]- 319.16794 175.7
[M]+ 298.19272 175.0
[M]- 298.19382 175.0
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

patents stripe