CID 53407096

55736-69-1

Structural Information

Molecular Formula
C8H7BrO2
SMILES
CC(=O)C1=C(C=CC=C1Br)O
InChI
InChI=1S/C8H7BrO2/c1-5(10)8-6(9)3-2-4-7(8)11/h2-4,11H,1H3
InChIKey
XESQSKZNMZZAEQ-UHFFFAOYSA-N
Compound name
1-(2-bromo-6-hydroxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

213.96294 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.97022 134.8
[M+Na]+ 236.95216 147.0
[M-H]- 212.95566 140.5
[M+NH4]+ 231.99676 156.7
[M+K]+ 252.92610 136.3
[M+H-H2O]+ 196.96020 135.6
[M+HCOO]- 258.96114 155.3
[M+CH3COO]- 272.97679 182.5
[M+Na-2H]- 234.93761 141.5
[M]+ 213.96239 153.3
[M]- 213.96349 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