CID 24698425

2-bromo-n-ethyl-4-fluorobenzamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.98515 Da
Monoisotopic Mass

2.4
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.