CID 70699563

3-bromo-5-hydroxybenzamide

Structural Information

Molecular Formula
C7H6BrNO2
SMILES
C1=C(C=C(C=C1O)Br)C(=O)N
InChI
InChI=1S/C7H6BrNO2/c8-5-1-4(7(9)11)2-6(10)3-5/h1-3,10H,(H2,9,11)
InChIKey
OAOJIWRUZXJSJL-UHFFFAOYSA-N
Compound name
3-bromo-5-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

214.95819 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.96547 135.4
[M+Na]+ 237.94741 137.8
[M+NH4]+ 232.99201 139.6
[M+K]+ 253.92135 139.1
[M-H]- 213.95091 135.5
[M+Na-2H]- 235.93286 138.2
[M]+ 214.95764 134.4
[M]- 214.95874 134.4
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