CID 198020

24312-44-5

Structural Information

Molecular Formula
C9H9BrFNO
SMILES
C1=CC(=CC=C1CNC(=O)CF)Br
InChI
InChI=1S/C9H9BrFNO/c10-8-3-1-7(2-4-8)6-12-9(13)5-11/h1-4H,5-6H2,(H,12,13)
InChIKey
ZRGCGXABDWGNHA-UHFFFAOYSA-N
Compound name
N-[(4-bromophenyl)methyl]-2-fluoroacetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

367
Patents

244.98515 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.992426 144.8
[M+Na]+ 267.974368 155.3
[M-H]- 243.977874 149.6
[M+NH4]+ 263.018973 165.4
[M+K]+ 283.948308 143.9
[M+H-H2O]+ 227.982410 143.3
[M+HCOO]- 289.983351 166.0
[M+CH3COO]- 303.999001 191.2
[M+Na-2H]- 265.959816 151.4
[M]+ 244.98460142 161.6
[M]- 244.98569858 161.6
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

patents stripe