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

5
Patents

340.24023 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.24751 188.0
[M+Na]+ 363.22945 192.0
[M-H]- 339.23295 190.9
[M+NH4]+ 358.27405 200.2
[M+K]+ 379.20339 185.9
[M+H-H2O]+ 323.23749 180.1
[M+HCOO]- 385.23843 205.1
[M+CH3COO]- 399.25408 210.6
[M+Na-2H]- 361.21490 189.6
[M]+ 340.23968 189.6
[M]- 340.24078 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