CID 156582794

Ambigol e

Structural Information

Molecular Formula
C18H8Cl6O3
SMILES
C1=CC(=C(C=C1Cl)Cl)OC2=C(C(=C(C=C2C3=C(C(=CC(=C3)Cl)Cl)O)Cl)O)Cl
InChI
InChI=1S/C18H8Cl6O3/c19-7-1-2-14(11(21)4-7)27-18-10(6-13(23)17(26)15(18)24)9-3-8(20)5-12(22)16(9)25/h1-6,25-26H
InChIKey
PTSAOYMKLTZNCQ-UHFFFAOYSA-N
Compound name
2,6-dichloro-4-(3,5-dichloro-2-hydroxyphenyl)-3-(2,4-dichlorophenoxy)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.86047 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.86775 192.7
[M+Na]+ 504.84969 202.9
[M-H]- 480.85319 192.9
[M+NH4]+ 499.89429 200.4
[M+K]+ 520.82363 198.1
[M+H-H2O]+ 464.85773 188.6
[M+HCOO]- 526.85867 183.5
[M+CH3COO]- 540.87432 198.5
[M+Na-2H]- 502.83514 187.5
[M]+ 481.85992 194.3
[M]- 481.86102 194.3
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

No patent data available for this compound.