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

3
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 143.1
[M+Na]+ 243.01833 153.3
[M-H]- 219.02183 148.0
[M+NH4]+ 238.06293 161.5
[M+K]+ 258.99227 147.5
[M+H-H2O]+ 203.02637 138.0
[M+HCOO]- 265.02731 161.1
[M+CH3COO]- 279.04296 182.2
[M+Na-2H]- 241.00378 148.8
[M]+ 220.02856 144.1
[M]- 220.02966 144.1
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

No patent data available for this compound.