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

38
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 144.8
[M+Na]+ 267.97437 155.3
[M-H]- 243.97787 149.6
[M+NH4]+ 263.01897 165.4
[M+K]+ 283.94831 143.9
[M+H-H2O]+ 227.98241 143.3
[M+HCOO]- 289.98335 166.0
[M+CH3COO]- 303.99900 191.2
[M+Na-2H]- 265.95982 151.4
[M]+ 244.98460 161.6
[M]- 244.98570 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