CID 60797337

2-(4-bromophenyl)-1-(4-chlorophenyl)ethan-1-ol

Structural Information

Molecular Formula
C14H12BrClO
SMILES
C1=CC(=CC=C1CC(C2=CC=C(C=C2)Cl)O)Br
InChI
InChI=1S/C14H12BrClO/c15-12-5-1-10(2-6-12)9-14(17)11-3-7-13(16)8-4-11/h1-8,14,17H,9H2
InChIKey
DEDQKJKPEJJKKD-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-1-(4-chlorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.976 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.98328 160.1
[M+Na]+ 332.96522 171.7
[M-H]- 308.96872 167.9
[M+NH4]+ 328.00982 178.9
[M+K]+ 348.93916 157.7
[M+H-H2O]+ 292.97326 160.4
[M+HCOO]- 354.97420 175.4
[M+CH3COO]- 368.98985 197.8
[M+Na-2H]- 330.95067 165.5
[M]+ 309.97545 179.7
[M]- 309.97655 179.7
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.