CID 38706

Brosotamide

Structural Information

Molecular Formula
C8H8BrNO2
SMILES
CC1=CC(=CC(=C1O)C(=O)N)Br
InChI
InChI=1S/C8H8BrNO2/c1-4-2-5(9)3-6(7(4)11)8(10)12/h2-3,11H,1H3,(H2,10,12)
InChIKey
KEYYFWXKFRRLOZ-UHFFFAOYSA-N
Compound name
5-bromo-2-hydroxy-3-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

228.97385 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.98113 139.5
[M+Na]+ 251.96307 142.0
[M+NH4]+ 247.00767 143.6
[M+K]+ 267.93701 143.3
[M-H]- 227.96657 139.6
[M+Na-2H]- 249.94852 141.9
[M]+ 228.97330 138.5
[M]- 228.97440 138.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe