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]+ 241.981126 141.2
[M+Na]+ 263.963068 152.8
[M-H]- 239.966574 147.9
[M+NH4]+ 259.007673 162.3
[M+K]+ 279.937008 141.8
[M+H-H2O]+ 223.971110 140.8
[M+HCOO]- 285.972051 163.9
[M+CH3COO]- 299.987701 190.9
[M+Na-2H]- 261.948516 148.0
[M]+ 240.97330142 160.3
[M]- 240.97439858 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.