CID 67247

2,2'-methylenebis(6-tert-butylphenol)

Structural Information

Molecular Formula
C21H28O2
SMILES
CC(C)(C)C1=CC=CC(=C1O)CC2=C(C(=CC=C2)C(C)(C)C)O
InChI
InChI=1S/C21H28O2/c1-20(2,3)16-11-7-9-14(18(16)22)13-15-10-8-12-17(19(15)23)21(4,5)6/h7-12,22-23H,13H2,1-6H3
InChIKey
PHAZIZJZLYBIIT-UHFFFAOYSA-N
Compound name
2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

209
Patents

312.20892 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.21620 177.2
[M+Na]+ 335.19814 184.5
[M-H]- 311.20164 181.8
[M+NH4]+ 330.24274 191.6
[M+K]+ 351.17208 179.9
[M+H-H2O]+ 295.20618 171.1
[M+HCOO]- 357.20712 193.5
[M+CH3COO]- 371.22277 206.4
[M+Na-2H]- 333.18359 179.7
[M]+ 312.20837 178.5
[M]- 312.20947 178.5
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