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 141.2
[M+Na]+ 263.96307 152.8
[M-H]- 239.96657 147.9
[M+NH4]+ 259.00767 162.3
[M+K]+ 279.93701 141.8
[M+H-H2O]+ 223.97111 140.8
[M+HCOO]- 285.97205 163.9
[M+CH3COO]- 299.98770 190.9
[M+Na-2H]- 261.94852 148.0
[M]+ 240.97330 160.3
[M]- 240.97440 160.3
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.