CID 22103567

4-bromo-3-methoxybenzamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

228.97385 Da
Monoisotopic Mass

1.8
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

No literature data available for this compound.

Patent stripe

patents stripe