CID 2756848

2,5'-dibromo-2'-hydroxyacetophenone

Structural Information

Molecular Formula
C8H6Br2O2
SMILES
C1=CC(=C(C=C1Br)C(=O)CBr)O
InChI
InChI=1S/C8H6Br2O2/c9-4-8(12)6-3-5(10)1-2-7(6)11/h1-3,11H,4H2
InChIKey
FZIUHYVCSFQKFC-UHFFFAOYSA-N
Compound name
2-bromo-1-(5-bromo-2-hydroxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

291.87344 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.88072 138.8
[M+Na]+ 314.86266 149.7
[M-H]- 290.86616 144.7
[M+NH4]+ 309.90726 157.6
[M+K]+ 330.83660 134.2
[M+H-H2O]+ 274.87070 146.9
[M+HCOO]- 336.87164 154.0
[M+CH3COO]- 350.88729 200.4
[M+Na-2H]- 312.84811 145.1
[M]+ 291.87289 172.5
[M]- 291.87399 172.5
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