CID 23216962

1232407-20-3

Structural Information

Molecular Formula
C8H7BrO2
SMILES
CC(=O)C1=C(C(=CC=C1)O)Br
InChI
InChI=1S/C8H7BrO2/c1-5(10)6-3-2-4-7(11)8(6)9/h2-4,11H,1H3
InChIKey
SAPAONJSPUUHTQ-UHFFFAOYSA-N
Compound name
1-(2-bromo-3-hydroxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

213.96294 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.970216 134.8
[M+Na]+ 236.952158 147.0
[M-H]- 212.955664 140.5
[M+NH4]+ 231.996763 156.7
[M+K]+ 252.926098 136.3
[M+H-H2O]+ 196.960200 135.6
[M+HCOO]- 258.961141 155.3
[M+CH3COO]- 272.976791 182.5
[M+Na-2H]- 234.937606 141.5
[M]+ 213.96239142 153.3
[M]- 213.96348858 153.3
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

patents stripe