CID 110716

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

197
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 149.0
[M+Na]+ 255.05471 157.7
[M-H]- 231.05821 154.6
[M+NH4]+ 250.09931 167.3
[M+K]+ 271.02865 152.1
[M+H-H2O]+ 215.06275 143.3
[M+HCOO]- 277.06369 166.6
[M+CH3COO]- 291.07934 188.4
[M+Na-2H]- 253.04016 153.6
[M]+ 232.06494 150.1
[M]- 232.06604 150.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe