CID 24689405

2-bromo-4-fluoro-n,n-dimethylbenzamide

Structural Information

Molecular Formula
C9H9BrFNO
SMILES
CN(C)C(=O)C1=C(C=C(C=C1)F)Br
InChI
InChI=1S/C9H9BrFNO/c1-12(2)9(13)7-4-3-6(11)5-8(7)10/h3-5H,1-2H3
InChIKey
CGUIJOTZYHWBSQ-UHFFFAOYSA-N
Compound name
2-bromo-4-fluoro-N,N-dimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

244.98515 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.99243 143.7
[M+Na]+ 267.97437 155.3
[M-H]- 243.97787 150.4
[M+NH4]+ 263.01897 165.3
[M+K]+ 283.94831 145.3
[M+H-H2O]+ 227.98241 142.3
[M+HCOO]- 289.98335 165.4
[M+CH3COO]- 303.99900 195.6
[M+Na-2H]- 265.95982 149.0
[M]+ 244.98460 162.1
[M]- 244.98570 162.1
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