CID 212011

23802-18-8

Structural Information

Molecular Formula
C17H18Cl2O
SMILES
CC(C)(C)C1=CC(=C(C=C1)O)CC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C17H18Cl2O/c1-17(2,3)13-5-7-16(20)12(9-13)8-11-4-6-14(18)10-15(11)19/h4-7,9-10,20H,8H2,1-3H3
InChIKey
HJYKSBLJFCJWPG-UHFFFAOYSA-N
Compound name
4-tert-butyl-2-[(2,4-dichlorophenyl)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

308.07346 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.08074 171.7
[M+Na]+ 331.06268 188.5
[M+NH4]+ 326.10728 181.0
[M+K]+ 347.03662 179.1
[M-H]- 307.06618 176.1
[M+Na-2H]- 329.04813 180.4
[M]+ 308.07291 176.3
[M]- 308.07401 176.3
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

patents stripe