CID 24699606

5-bromo-n-ethyl-2-fluorobenzamide

Structural Information

Molecular Formula
C9H9BrFNO
SMILES
CCNC(=O)C1=C(C=CC(=C1)Br)F
InChI
InChI=1S/C9H9BrFNO/c1-2-12-9(13)7-5-6(10)3-4-8(7)11/h3-5H,2H2,1H3,(H,12,13)
InChIKey
CSVMOYVJBFMXJX-UHFFFAOYSA-N
Compound name
5-bromo-N-ethyl-2-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.98515 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.99243 145.8
[M+Na]+ 267.97437 148.2
[M+NH4]+ 263.01897 150.0
[M+K]+ 283.94831 148.0
[M-H]- 243.97787 145.5
[M+Na-2H]- 265.95982 148.6
[M]+ 244.98460 144.7
[M]- 244.98570 144.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.