CID 212014

23802-22-4

Structural Information

Molecular Formula
C17H17Cl3O
SMILES
CC(C)(C)C1=CC(=C(C(=C1)Cl)O)CC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C17H17Cl3O/c1-17(2,3)12-7-11(16(21)15(20)8-12)6-10-4-5-13(18)9-14(10)19/h4-5,7-9,21H,6H2,1-3H3
InChIKey
AHKRQWUDNKETCA-UHFFFAOYSA-N
Compound name
4-tert-butyl-2-chloro-6-[(2,4-dichlorophenyl)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

342.0345 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.04178 179.1
[M+Na]+ 365.02372 196.1
[M+NH4]+ 360.06832 188.1
[M+K]+ 380.99766 186.3
[M-H]- 341.02722 183.0
[M+Na-2H]- 363.00917 187.0
[M]+ 342.03395 183.9
[M]- 342.03505 183.9
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