CID 67028

[1,1'-biphenyl]-2,5-diol, 2'-chloro-

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

0
References

333
Patents

220.02911 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.036386 143.1
[M+Na]+ 243.018328 153.3
[M-H]- 219.021834 148.0
[M+NH4]+ 238.062933 161.5
[M+K]+ 258.992268 147.5
[M+H-H2O]+ 203.026370 138.0
[M+HCOO]- 265.027311 161.1
[M+CH3COO]- 279.042961 182.2
[M+Na-2H]- 241.003776 148.8
[M]+ 220.02856142 144.1
[M]- 220.02965858 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