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 168.7
[M+Na]+ 331.06268 179.0
[M-H]- 307.06618 174.1
[M+NH4]+ 326.10728 185.2
[M+K]+ 347.03662 171.6
[M+H-H2O]+ 291.07072 163.7
[M+HCOO]- 353.07166 179.6
[M+CH3COO]- 367.08731 202.9
[M+Na-2H]- 329.04813 171.4
[M]+ 308.07291 172.9
[M]- 308.07401 172.9
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