CID 3413668

2,2',3,3',6,6'-hexamethyl(1,1'-biphenyl)-4,4'-diol

Structural Information

Molecular Formula
C18H22O2
SMILES
CC1=CC(=C(C(=C1C2=C(C(=C(C=C2C)O)C)C)C)C)O
InChI
InChI=1S/C18H22O2/c1-9-7-15(19)11(3)13(5)17(9)18-10(2)8-16(20)12(4)14(18)6/h7-8,19-20H,1-6H3
InChIKey
XZXHPCXCKMHAFU-UHFFFAOYSA-N
Compound name
4-(4-hydroxy-2,3,6-trimethylphenyl)-2,3,5-trimethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

248
Patents

270.162 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.169276 161.8
[M+Na]+ 293.151218 173.2
[M-H]- 269.154724 167.9
[M+NH4]+ 288.195823 178.8
[M+K]+ 309.125158 168.3
[M+H-H2O]+ 253.159260 155.9
[M+HCOO]- 315.160201 182.2
[M+CH3COO]- 329.175851 202.9
[M+Na-2H]- 291.136666 161.3
[M]+ 270.16145142 164.8
[M]- 270.16254858 164.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe