CID 79688

2-chloro-4-biphenylol

Structural Information

Molecular Formula
C12H9ClO
SMILES
C1=CC=C(C=C1)C2=C(C=C(C=C2)O)Cl
InChI
InChI=1S/C12H9ClO/c13-12-8-10(14)6-7-11(12)9-4-2-1-3-5-9/h1-8,14H
InChIKey
MXORDJXBRHNWBE-UHFFFAOYSA-N
Compound name
3-chloro-4-phenylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

129
Patents

204.0342 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.04148 139.8
[M+Na]+ 227.02342 149.7
[M-H]- 203.02692 145.7
[M+NH4]+ 222.06802 159.3
[M+K]+ 242.99736 144.1
[M+H-H2O]+ 187.03146 134.4
[M+HCOO]- 249.03240 159.1
[M+CH3COO]- 263.04805 153.7
[M+Na-2H]- 225.00887 146.8
[M]+ 204.03365 140.8
[M]- 204.03475 140.8
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