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 149.7
[M+Na]+ 297.96852 159.9
[M-H]- 273.97202 152.3
[M+NH4]+ 293.01312 167.3
[M+K]+ 313.94246 147.9
[M+H-H2O]+ 257.97656 148.8
[M+HCOO]- 319.97750 167.9
[M+CH3COO]- 333.99315 190.1
[M+Na-2H]- 295.95397 154.0
[M]+ 274.97875 166.8
[M]- 274.97985 166.8
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.