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
2
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 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

No literature data available for this compound.

Patent stripe

patents stripe