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 174.1
[M+Na]+ 365.02372 185.1
[M-H]- 341.02722 178.4
[M+NH4]+ 360.06832 189.5
[M+K]+ 380.99766 177.2
[M+H-H2O]+ 325.03176 169.8
[M+HCOO]- 387.03270 179.6
[M+CH3COO]- 401.04835 208.9
[M+Na-2H]- 363.00917 175.0
[M]+ 342.03395 178.9
[M]- 342.03505 178.9
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