CID 71132

Cloridarol

Structural Information

Molecular Formula
C15H11ClO2
SMILES
C1=CC=C2C(=C1)C=C(O2)C(C3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C15H11ClO2/c16-12-7-5-10(6-8-12)15(17)14-9-11-3-1-2-4-13(11)18-14/h1-9,15,17H
InChIKey
KBFBRIPYVVGWRS-UHFFFAOYSA-N
Compound name
1-benzofuran-2-yl-(4-chlorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

7
References

1122
Patents

258.04477 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.05205 154.8
[M+Na]+ 281.03399 165.5
[M-H]- 257.03749 162.6
[M+NH4]+ 276.07859 173.6
[M+K]+ 297.00793 160.6
[M+H-H2O]+ 241.04203 149.3
[M+HCOO]- 303.04297 173.3
[M+CH3COO]- 317.05862 168.5
[M+Na-2H]- 279.01944 160.8
[M]+ 258.04422 159.4
[M]- 258.04532 159.4
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