CID 162520

Einecs 255-841-8

Structural Information

Molecular Formula
C20H26O
SMILES
CC(C)(C)C1=CC=C(C=C1)C2=CC(=C(C=C2)O)C(C)(C)C
InChI
InChI=1S/C20H26O/c1-19(2,3)16-10-7-14(8-11-16)15-9-12-18(21)17(13-15)20(4,5)6/h7-13,21H,1-6H3
InChIKey
FVOGYQFJLZIROB-UHFFFAOYSA-N
Compound name
2-tert-butyl-4-(4-tert-butylphenyl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

282.19836 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.20564 168.9
[M+Na]+ 305.18758 176.4
[M-H]- 281.19108 174.8
[M+NH4]+ 300.23218 185.1
[M+K]+ 321.16152 172.1
[M+H-H2O]+ 265.19562 162.7
[M+HCOO]- 327.19656 186.9
[M+CH3COO]- 341.21221 202.6
[M+Na-2H]- 303.17303 173.0
[M]+ 282.19781 169.9
[M]- 282.19891 169.9
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