CID 23387

6955-53-9

Structural Information

Molecular Formula
C15H15ClO
SMILES
CC1=C(C=C(C=C1)CC2=C(C=CC(=C2)Cl)O)C
InChI
InChI=1S/C15H15ClO/c1-10-3-4-12(7-11(10)2)8-13-9-14(16)5-6-15(13)17/h3-7,9,17H,8H2,1-2H3
InChIKey
RDKJCWGKVHVJNN-UHFFFAOYSA-N
Compound name
4-chloro-2-[(3,4-dimethylphenyl)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.08115 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.08843 153.0
[M+Na]+ 269.07037 163.4
[M-H]- 245.07387 159.1
[M+NH4]+ 264.11497 171.5
[M+K]+ 285.04431 157.2
[M+H-H2O]+ 229.07841 147.4
[M+HCOO]- 291.07935 171.3
[M+CH3COO]- 305.09500 192.8
[M+Na-2H]- 267.05582 156.9
[M]+ 246.08060 155.9
[M]- 246.08170 155.9
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

No patent data available for this compound.