CID 3067857

Alpha-(4-chlorophenyl)-alpha-methyl-2-benzofuranmethanol

Structural Information

Molecular Formula
C16H13ClO2
SMILES
CC(C1=CC=C(C=C1)Cl)(C2=CC3=CC=CC=C3O2)O
InChI
InChI=1S/C16H13ClO2/c1-16(18,12-6-8-13(17)9-7-12)15-10-11-4-2-3-5-14(11)19-15/h2-10,18H,1H3
InChIKey
YOJWZTMPJRZZNV-UHFFFAOYSA-N
Compound name
1-(1-benzofuran-2-yl)-1-(4-chlorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

272.0604 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.06768 160.1
[M+Na]+ 295.04962 171.0
[M-H]- 271.05312 167.9
[M+NH4]+ 290.09422 178.4
[M+K]+ 311.02356 165.9
[M+H-H2O]+ 255.05766 154.7
[M+HCOO]- 317.05860 177.6
[M+CH3COO]- 331.07425 173.5
[M+Na-2H]- 293.03507 167.5
[M]+ 272.05985 165.1
[M]- 272.06095 165.1
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