CID 3068791

Brn 5585193

Structural Information

Molecular Formula
C15H9Cl3O2
SMILES
C1=CC(=CC=C1C(C2=CC3=CC(=CC(=C3O2)Cl)Cl)O)Cl
InChI
InChI=1S/C15H9Cl3O2/c16-10-3-1-8(2-4-10)14(19)13-6-9-5-11(17)7-12(18)15(9)20-13/h1-7,14,19H
InChIKey
IJPZZRUJQUFAAM-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-(5,7-dichloro-1-benzofuran-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

325.96683 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.97411 168.0
[M+Na]+ 348.95605 180.5
[M-H]- 324.95955 174.2
[M+NH4]+ 344.00065 184.9
[M+K]+ 364.92999 173.9
[M+H-H2O]+ 308.96409 163.8
[M+HCOO]- 370.96503 175.7
[M+CH3COO]- 384.98068 180.1
[M+Na-2H]- 346.94150 170.6
[M]+ 325.96628 174.9
[M]- 325.96738 174.9
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

patents stripe