CID 101043295

1403991-85-4

Structural Information

Molecular Formula
C14H9Br3O2
SMILES
C1=CC(=C(C=C1Br)O)C(=O)CC2=C(C=CC(=C2)Br)Br
InChI
InChI=1S/C14H9Br3O2/c15-9-2-4-12(17)8(5-9)6-13(18)11-3-1-10(16)7-14(11)19/h1-5,7,19H,6H2
InChIKey
PRKVOZSIFWDNAM-UHFFFAOYSA-N
Compound name
1-(4-bromo-2-hydroxyphenyl)-2-(2,5-dibromophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

445.81528 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.82256 157.5
[M+Na]+ 468.80450 164.5
[M-H]- 444.80800 163.8
[M+NH4]+ 463.84910 169.8
[M+K]+ 484.77844 149.4
[M+H-H2O]+ 428.81254 172.0
[M+HCOO]- 490.81348 166.4
[M+CH3COO]- 504.82913 227.9
[M+Na-2H]- 466.78995 160.5
[M]+ 445.81473 198.3
[M]- 445.81583 198.3
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