CID 3068790

83806-33-1

Structural Information

Molecular Formula
C15H10Cl2O2
SMILES
C1=CC(=CC=C1C(C2=CC3=C(O2)C=CC(=C3)Cl)O)Cl
InChI
InChI=1S/C15H10Cl2O2/c16-11-3-1-9(2-4-11)15(18)14-8-10-7-12(17)5-6-13(10)19-14/h1-8,15,18H
InChIKey
QNGCOUPEVFEADA-UHFFFAOYSA-N
Compound name
(5-chloro-1-benzofuran-2-yl)-(4-chlorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.0058 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.01308 161.6
[M+Na]+ 314.99502 173.5
[M-H]- 290.99852 168.9
[M+NH4]+ 310.03962 179.7
[M+K]+ 330.96896 167.4
[M+H-H2O]+ 275.00306 156.8
[M+HCOO]- 337.00400 174.9
[M+CH3COO]- 351.01965 174.7
[M+Na-2H]- 312.98047 166.0
[M]+ 292.00525 167.9
[M]- 292.00635 167.9
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

No patent data available for this compound.