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

4
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 144.2
[M+Na]+ 267.97437 155.6
[M-H]- 243.97787 149.5
[M+NH4]+ 263.01897 165.2
[M+K]+ 283.94831 144.2
[M+H-H2O]+ 227.98241 142.9
[M+HCOO]- 289.98335 165.4
[M+CH3COO]- 303.99900 192.3
[M+Na-2H]- 265.95982 150.2
[M]+ 244.98460 161.4
[M]- 244.98570 161.4
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

patents stripe