CID 3019069

2-chloro-4-(1-phenylethyl)phenol

Structural Information

Molecular Formula
C14H13ClO
SMILES
CC(C1=CC=CC=C1)C2=CC(=C(C=C2)O)Cl
InChI
InChI=1S/C14H13ClO/c1-10(11-5-3-2-4-6-11)12-7-8-14(16)13(15)9-12/h2-10,16H,1H3
InChIKey
LMEXXUGPTZYJQU-UHFFFAOYSA-N
Compound name
2-chloro-4-(1-phenylethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

232.06549 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.07277 150.1
[M+Na]+ 255.05471 166.4
[M+NH4]+ 250.09931 160.1
[M+K]+ 271.02865 157.7
[M-H]- 231.05821 155.3
[M+Na-2H]- 253.04016 160.2
[M]+ 232.06494 154.4
[M]- 232.06604 154.4
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