CID 212010

23802-17-7

Structural Information

Molecular Formula
C16H16Cl2O
SMILES
CC(C)C1=CC(=C(C=C1)O)CC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C16H16Cl2O/c1-10(2)11-4-6-16(19)13(7-11)8-12-3-5-14(17)9-15(12)18/h3-7,9-10,19H,8H2,1-2H3
InChIKey
GNWIPUAQJKQQAX-UHFFFAOYSA-N
Compound name
2-[(2,4-dichlorophenyl)methyl]-4-propan-2-ylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

294.05783 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.06511 162.9
[M+Na]+ 317.04705 172.9
[M-H]- 293.05055 168.1
[M+NH4]+ 312.09165 179.7
[M+K]+ 333.02099 165.7
[M+H-H2O]+ 277.05509 157.8
[M+HCOO]- 339.05603 174.7
[M+CH3COO]- 353.07168 201.1
[M+Na-2H]- 315.03250 164.3
[M]+ 294.05728 166.8
[M]- 294.05838 166.8
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