CID 198556

5-(2-bromoacetyl)-2-hydroxybenzamide

Structural Information

Molecular Formula
C9H8BrNO3
SMILES
C1=CC(=C(C=C1C(=O)CBr)C(=O)N)O
InChI
InChI=1S/C9H8BrNO3/c10-4-8(13)5-1-2-7(12)6(3-5)9(11)14/h1-3,12H,4H2,(H2,11,14)
InChIKey
VXWSXLSUWGZOHD-UHFFFAOYSA-N
Compound name
5-(2-bromoacetyl)-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

124
Patents

256.96875 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.97603 146.0
[M+Na]+ 279.95797 156.5
[M-H]- 255.96147 150.7
[M+NH4]+ 275.00257 165.1
[M+K]+ 295.93191 145.2
[M+H-H2O]+ 239.96601 145.2
[M+HCOO]- 301.96695 165.7
[M+CH3COO]- 315.98260 191.5
[M+Na-2H]- 277.94342 149.9
[M]+ 256.96820 163.0
[M]- 256.96930 163.0
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