CID 59462112

4-bromo-3-hydroxybenzamide

Structural Information

Molecular Formula
C7H6BrNO2
SMILES
C1=CC(=C(C=C1C(=O)N)O)Br
InChI
InChI=1S/C7H6BrNO2/c8-5-2-1-4(7(9)11)3-6(5)10/h1-3,10H,(H2,9,11)
InChIKey
GUKCLJBAVMNZJH-UHFFFAOYSA-N
Compound name
4-bromo-3-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

214.95819 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.96547 135.5
[M+Na]+ 237.94741 146.9
[M-H]- 213.95091 140.5
[M+NH4]+ 232.99201 156.5
[M+K]+ 253.92135 135.6
[M+H-H2O]+ 197.95545 135.3
[M+HCOO]- 259.95639 156.4
[M+CH3COO]- 273.97204 183.7
[M+Na-2H]- 235.93286 141.6
[M]+ 214.95764 151.7
[M]- 214.95874 151.7
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

patents stripe