CID 78111

3,4',5-trichloro-4-biphenylol

Structural Information

Molecular Formula
C12H7Cl3O
SMILES
C1=CC(=CC=C1C2=CC(=C(C(=C2)Cl)O)Cl)Cl
InChI
InChI=1S/C12H7Cl3O/c13-9-3-1-7(2-4-9)8-5-10(14)12(16)11(15)6-8/h1-6,16H
InChIKey
OICMUGIRBDYVOV-UHFFFAOYSA-N
Compound name
2,6-dichloro-4-(4-chlorophenyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

30
Patents

271.95624 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.96352 151.2
[M+Na]+ 294.94546 162.9
[M-H]- 270.94896 155.4
[M+NH4]+ 289.99006 168.7
[M+K]+ 310.91940 155.5
[M+H-H2O]+ 254.95350 147.3
[M+HCOO]- 316.95444 159.7
[M+CH3COO]- 330.97009 163.6
[M+Na-2H]- 292.93091 154.7
[M]+ 271.95569 154.3
[M]- 271.95679 154.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.