CID 116258

2,6-xylenol, 4-chloro-alpha(sup 2),alpha(sup 2)-di(3,4-xylyl)-

Structural Information

Molecular Formula
C24H25ClO
SMILES
CC1=C(C=C(C=C1)CC2=CC(=CC(=C2O)CC3=CC(=C(C=C3)C)C)Cl)C
InChI
InChI=1S/C24H25ClO/c1-15-5-7-19(9-17(15)3)11-21-13-23(25)14-22(24(21)26)12-20-8-6-16(2)18(4)10-20/h5-10,13-14,26H,11-12H2,1-4H3
InChIKey
ZVHGJYNUMGWJPL-UHFFFAOYSA-N
Compound name
4-chloro-2,6-bis[(3,4-dimethylphenyl)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.1594 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.16668 191.3
[M+Na]+ 387.14862 210.7
[M+NH4]+ 382.19322 200.9
[M+K]+ 403.12256 199.1
[M-H]- 363.15212 199.5
[M+Na-2H]- 385.13407 201.9
[M]+ 364.15885 197.3
[M]- 364.15995 197.3
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

No patent data available for this compound.