CID 48474236

4-bromo-3-fluoro-n,n-dimethylbenzamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

244.98515 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.992426 143.7
[M+Na]+ 267.974368 155.3
[M-H]- 243.977874 150.4
[M+NH4]+ 263.018973 165.3
[M+K]+ 283.948308 145.3
[M+H-H2O]+ 227.982410 142.3
[M+HCOO]- 289.983351 165.4
[M+CH3COO]- 303.999001 195.6
[M+Na-2H]- 265.959816 149.0
[M]+ 244.98460142 162.1
[M]- 244.98569858 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