CID 2756928

2-bromo-1-(3,5-dihydroxyphenyl)ethanone

Structural Information

Molecular Formula
C8H7BrO3
SMILES
C1=C(C=C(C=C1O)O)C(=O)CBr
InChI
InChI=1S/C8H7BrO3/c9-4-8(12)5-1-6(10)3-7(11)2-5/h1-3,10-11H,4H2
InChIKey
WUXKAYZEXYAYIT-UHFFFAOYSA-N
Compound name
2-bromo-1-(3,5-dihydroxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

229.95786 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.96514 138.7
[M+Na]+ 252.94708 150.2
[M-H]- 228.95058 142.8
[M+NH4]+ 247.99168 159.0
[M+K]+ 268.92102 139.0
[M+H-H2O]+ 212.95512 139.2
[M+HCOO]- 274.95606 157.8
[M+CH3COO]- 288.97171 182.1
[M+Na-2H]- 250.93253 144.7
[M]+ 229.95731 156.6
[M]- 229.95841 156.6
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