CID 212009

7-(p-chlorophenyl)-m-cymen-6-ol

Structural Information

Molecular Formula
C16H17ClO
SMILES
CC(C)C1=CC(=C(C=C1)O)CC2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H17ClO/c1-11(2)13-5-8-16(18)14(10-13)9-12-3-6-15(17)7-4-12/h3-8,10-11,18H,9H2,1-2H3
InChIKey
ABUTZBJDHJAZIO-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)methyl]-4-propan-2-ylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

260.0968 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.10408 159.0
[M+Na]+ 283.08602 175.3
[M+NH4]+ 278.13062 168.7
[M+K]+ 299.05996 166.3
[M-H]- 259.08952 164.2
[M+Na-2H]- 281.07147 168.4
[M]+ 260.09625 163.4
[M]- 260.09735 163.4
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