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 173.6
[M+Na]+ 372.96014 188.1
[M-H]- 348.96364 184.0
[M+NH4]+ 368.00474 192.8
[M+K]+ 388.93408 175.4
[M+H-H2O]+ 332.96818 174.3
[M+HCOO]- 394.96912 189.3
[M+CH3COO]- 408.98477 188.2
[M+Na-2H]- 370.94559 178.1
[M]+ 349.97037 197.4
[M]- 349.97147 197.4
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.