CID 25218

10385-00-9

Structural Information

Molecular Formula
C9H9BrFNO
SMILES
CN(C1=CC=C(C=C1)Br)C(=O)CF
InChI
InChI=1S/C9H9BrFNO/c1-12(9(13)6-11)8-4-2-7(10)3-5-8/h2-5H,6H2,1H3
InChIKey
FATGIAYGVSQXJB-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-2-fluoro-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.98515 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.992426 144.6
[M+Na]+ 267.974368 155.3
[M-H]- 243.977874 150.9
[M+NH4]+ 263.018973 165.9
[M+K]+ 283.948308 145.2
[M+H-H2O]+ 227.982410 143.0
[M+HCOO]- 289.983351 166.3
[M+CH3COO]- 303.999001 194.5
[M+Na-2H]- 265.959816 150.5
[M]+ 244.98460142 162.6
[M]- 244.98569858 162.6
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.