CID 134445

2-chloro-(1,1'-biphenyl)-4,4'-diol

Structural Information

Molecular Formula
C12H9ClO2
SMILES
C1=CC(=CC=C1C2=C(C=C(C=C2)O)Cl)O
InChI
InChI=1S/C12H9ClO2/c13-12-7-10(15)5-6-11(12)8-1-3-9(14)4-2-8/h1-7,14-15H
InChIKey
SDDOUBZCBHJDLO-UHFFFAOYSA-N
Compound name
3-chloro-4-(4-hydroxyphenyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

220.02911 Da
Monoisotopic Mass

3.7
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

literature stripe

Patent stripe

patents stripe