CID 3084895

4-bromo-3,5-dihydroxy-n-(2-hydroxyethyl)benzamide

Structural Information

Molecular Formula
C9H10BrNO4
SMILES
C1=C(C=C(C(=C1O)Br)O)C(=O)NCCO
InChI
InChI=1S/C9H10BrNO4/c10-8-6(13)3-5(4-7(8)14)9(15)11-1-2-12/h3-4,12-14H,1-2H2,(H,11,15)
InChIKey
HLMLWNJLJRZNGJ-UHFFFAOYSA-N
Compound name
4-bromo-3,5-dihydroxy-N-(2-hydroxyethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.9793 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.98658 152.1
[M+Na]+ 297.96852 152.8
[M+NH4]+ 293.01312 154.4
[M+K]+ 313.94246 155.0
[M-H]- 273.97202 150.4
[M+Na-2H]- 295.95397 152.5
[M]+ 274.97875 150.2
[M]- 274.97985 150.2
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.