CID 21419

4,6-dichloro-2-phenylphenol

Structural Information

Molecular Formula
C12H8Cl2O
SMILES
C1=CC=C(C=C1)C2=C(C(=CC(=C2)Cl)Cl)O
InChI
InChI=1S/C12H8Cl2O/c13-9-6-10(12(15)11(14)7-9)8-4-2-1-3-5-8/h1-7,15H
InChIKey
AFXPPGXJWHJULD-UHFFFAOYSA-N
Compound name
2,4-dichloro-6-phenylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

36
Patents

237.99522 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.00250 145.5
[M+Na]+ 260.98444 156.6
[M-H]- 236.98794 150.8
[M+NH4]+ 256.02904 164.3
[M+K]+ 276.95838 149.7
[M+H-H2O]+ 220.99248 140.9
[M+HCOO]- 282.99342 159.6
[M+CH3COO]- 297.00907 158.8
[M+Na-2H]- 258.96989 150.9
[M]+ 237.99467 148.1
[M]- 237.99577 148.1
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