CID 110925

4,4'-(1-methyloctylidene)bisphenol

Structural Information

Molecular Formula
C21H28O2
SMILES
CC(CCCCCCCC1=CC=C(C=C1)O)C2=CC=C(C=C2)O
InChI
InChI=1S/C21H28O2/c1-17(19-11-15-21(23)16-12-19)7-5-3-2-4-6-8-18-9-13-20(22)14-10-18/h9-17,22-23H,2-8H2,1H3
InChIKey
YNYHFUGZYQQPGL-UHFFFAOYSA-N
Compound name
4-[8-(4-hydroxyphenyl)nonyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

312.20892 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.21620 179.1
[M+Na]+ 335.19814 183.2
[M-H]- 311.20164 182.1
[M+NH4]+ 330.24274 192.3
[M+K]+ 351.17208 177.6
[M+H-H2O]+ 295.20618 171.1
[M+HCOO]- 357.20712 197.5
[M+CH3COO]- 371.22277 205.0
[M+Na-2H]- 333.18359 179.7
[M]+ 312.20837 179.9
[M]- 312.20947 179.9
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