CID 59375042

3-bromo-2-fluoro-n,n-dimethylbenzamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
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

No literature data available for this compound.

Patent stripe

patents stripe