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

20
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 146.3
[M+NH4]+ 263.01897 148.1
[M+K]+ 283.94831 146.7
[M-H]- 243.97787 143.7
[M+Na-2H]- 265.95982 146.9
[M]+ 244.98460 142.8
[M]- 244.98570 142.8
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