CID 105036

4-hydroxy-2',4',6'-trichlorobiphenyl

Structural Information

Molecular Formula
C12H7Cl3O
SMILES
C1=CC(=CC=C1C2=C(C=C(C=C2Cl)Cl)Cl)O
InChI
InChI=1S/C12H7Cl3O/c13-8-5-10(14)12(11(15)6-8)7-1-3-9(16)4-2-7/h1-6,16H
InChIKey
LTQJFLVGNGVJCX-UHFFFAOYSA-N
Compound name
4-(2,4,6-trichlorophenyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

24
Patents

271.95624 Da
Monoisotopic Mass

5.4
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

literature stripe

Patent stripe

patents stripe