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

63
Patents

244.98515 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.99243 146.2
[M+Na]+ 267.97437 148.2
[M+NH4]+ 263.01897 150.3
[M+K]+ 283.94831 147.8
[M-H]- 243.97787 145.8
[M+Na-2H]- 265.95982 149.1
[M]+ 244.98460 145.0
[M]- 244.98570 145.0
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