CID 131493722

3-bromo-5-formyl-n-methylbenzamide

Structural Information

Molecular Formula
C9H8BrNO2
SMILES
CNC(=O)C1=CC(=CC(=C1)C=O)Br
InChI
InChI=1S/C9H8BrNO2/c1-11-9(13)7-2-6(5-12)3-8(10)4-7/h2-5H,1H3,(H,11,13)
InChIKey
USIICMVOEIWUKN-UHFFFAOYSA-N
Compound name
3-bromo-5-formyl-N-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.97385 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.98113 141.9
[M+Na]+ 263.96307 144.7
[M+NH4]+ 259.00767 146.0
[M+K]+ 279.93701 145.1
[M-H]- 239.96657 142.3
[M+Na-2H]- 261.94852 145.1
[M]+ 240.97330 141.0
[M]- 240.97440 141.0
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

No patent data available for this compound.