CID 446948

2',6'-dichloro-biphenyl-2,6-diol

Structural Information

Molecular Formula
C12H8Cl2O2
SMILES
C1=CC(=C(C(=C1)O)O)C2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C12H8Cl2O2/c13-8-4-2-5-9(14)11(8)7-3-1-6-10(15)12(7)16/h1-6,15-16H
InChIKey
MCZUCSAAGDCHHN-UHFFFAOYSA-N
Compound name
3-(2,6-dichlorophenyl)benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

253.99013 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.99741 148.2
[M+Na]+ 276.97935 159.7
[M-H]- 252.98285 152.7
[M+NH4]+ 272.02395 165.9
[M+K]+ 292.95329 152.7
[M+H-H2O]+ 236.98739 144.0
[M+HCOO]- 298.98833 161.1
[M+CH3COO]- 313.00398 188.1
[M+Na-2H]- 274.96480 152.5
[M]+ 253.98958 150.8
[M]- 253.99068 150.8
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