CID 6455464

4,4'-(1-methyldecylidene)bisphenol

Structural Information

Molecular Formula
C23H32O2
SMILES
CCCCCCCCCC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
InChI
InChI=1S/C23H32O2/c1-3-4-5-6-7-8-9-18-23(2,19-10-14-21(24)15-11-19)20-12-16-22(25)17-13-20/h10-17,24-25H,3-9,18H2,1-2H3
InChIKey
LKOGRXMNXYBFBF-UHFFFAOYSA-N
Compound name
4-[2-(4-hydroxyphenyl)undecan-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

340.24023 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.247506 188.0
[M+Na]+ 363.229448 192.0
[M-H]- 339.232954 190.9
[M+NH4]+ 358.274053 200.2
[M+K]+ 379.203388 185.9
[M+H-H2O]+ 323.237490 180.1
[M+HCOO]- 385.238431 205.1
[M+CH3COO]- 399.254081 210.6
[M+Na-2H]- 361.214896 189.6
[M]+ 340.23968142 189.6
[M]- 340.24077858 189.6
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