CID 487716

Akos008034954

Structural Information

Molecular Formula
C13H9BrFNO2
SMILES
C1=CC(=CC(=C1)F)NC(=O)C2=C(C=CC(=C2)Br)O
InChI
InChI=1S/C13H9BrFNO2/c14-8-4-5-12(17)11(6-8)13(18)16-10-3-1-2-9(15)7-10/h1-7,17H,(H,16,18)
InChIKey
MTLRBWSQUNWPOI-UHFFFAOYSA-N
Compound name
5-bromo-N-(3-fluorophenyl)-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.98007 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.98735 159.8
[M+Na]+ 331.96929 170.7
[M-H]- 307.97279 166.8
[M+NH4]+ 327.01389 177.3
[M+K]+ 347.94323 158.2
[M+H-H2O]+ 291.97733 157.7
[M+HCOO]- 353.97827 179.9
[M+CH3COO]- 367.99392 200.3
[M+Na-2H]- 329.95474 164.9
[M]+ 308.97952 176.1
[M]- 308.98062 176.1
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

No patent data available for this compound.