CID 95991

1450-75-5

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

5
References

1704
Patents

213.96294 Da
Monoisotopic Mass

2.7
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

literature stripe

Patent stripe

patents stripe