CID 2728705

2-bromo-5-methoxybenzamide

Structural Information

Molecular Formula
C8H8BrNO2
SMILES
COC1=CC(=C(C=C1)Br)C(=O)N
InChI
InChI=1S/C8H8BrNO2/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H2,10,11)
InChIKey
CMTKLJYDFPAPJS-UHFFFAOYSA-N
Compound name
2-bromo-5-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

228.97385 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.98113 139.1
[M+Na]+ 251.96307 150.7
[M-H]- 227.96657 145.3
[M+NH4]+ 247.00767 160.3
[M+K]+ 267.93701 140.0
[M+H-H2O]+ 211.97111 138.6
[M+HCOO]- 273.97205 161.2
[M+CH3COO]- 287.98770 188.9
[M+Na-2H]- 249.94852 145.3
[M]+ 228.97330 157.5
[M]- 228.97440 157.5
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