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 157.9
[M+Na]+ 283.08602 166.6
[M-H]- 259.08952 163.5
[M+NH4]+ 278.13062 175.3
[M+K]+ 299.05996 160.6
[M+H-H2O]+ 243.09406 151.9
[M+HCOO]- 305.09500 174.8
[M+CH3COO]- 319.11065 195.5
[M+Na-2H]- 281.07147 160.7
[M]+ 260.09625 160.1
[M]- 260.09735 160.1
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