CID 350376

2,5-bis(4-chlorophenyl)benzene-1,4-diol

Structural Information

Molecular Formula
C18H12Cl2O2
SMILES
C1=CC(=CC=C1C2=CC(=C(C=C2O)C3=CC=C(C=C3)Cl)O)Cl
InChI
InChI=1S/C18H12Cl2O2/c19-13-5-1-11(2-6-13)15-9-18(22)16(10-17(15)21)12-3-7-14(20)8-4-12/h1-10,21-22H
InChIKey
IZZRUCVTPYUMLE-UHFFFAOYSA-N
Compound name
2,5-bis(4-chlorophenyl)benzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

330.02142 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.02870 170.8
[M+Na]+ 353.01064 181.8
[M-H]- 329.01414 178.1
[M+NH4]+ 348.05524 185.1
[M+K]+ 368.98458 173.4
[M+H-H2O]+ 313.01868 164.4
[M+HCOO]- 375.01962 182.9
[M+CH3COO]- 389.03527 182.3
[M+Na-2H]- 350.99609 173.5
[M]+ 330.02087 173.7
[M]- 330.02197 173.7
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