CID 441091

4'-chlorobiphenyl-2,3-diol

Structural Information

Molecular Formula
C12H9ClO2
SMILES
C1=CC(=C(C(=C1)O)O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H9ClO2/c13-9-6-4-8(5-7-9)10-2-1-3-11(14)12(10)15/h1-7,14-15H
InChIKey
DVSRTUCUOATCJD-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4
Patents

220.02911 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.03639 144.1
[M+Na]+ 243.01833 160.5
[M+NH4]+ 238.06293 153.6
[M+K]+ 258.99227 152.5
[M-H]- 219.02183 148.5
[M+Na-2H]- 241.00378 153.8
[M]+ 220.02856 148.2
[M]- 220.02966 148.2
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