CID 3088260

5-bromo-alpha-(4-chlorophenyl)-3-methyl-2-benzofuranmethanol

Structural Information

Molecular Formula
C16H12BrClO2
SMILES
CC1=C(OC2=C1C=C(C=C2)Br)C(C3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C16H12BrClO2/c1-9-13-8-11(17)4-7-14(13)20-16(9)15(19)10-2-5-12(18)6-3-10/h2-8,15,19H,1H3
InChIKey
XFHSQCIHQXMRMG-UHFFFAOYSA-N
Compound name
(5-bromo-3-methyl-1-benzofuran-2-yl)-(4-chlorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.97092 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.97820 170.2
[M+Na]+ 372.96014 177.3
[M+NH4]+ 368.00474 176.1
[M+K]+ 388.93408 176.6
[M-H]- 348.96364 174.3
[M+Na-2H]- 370.94559 174.5
[M]+ 349.97037 171.8
[M]- 349.97147 171.8
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.