CID 28446637

1215206-17-9

Structural Information

Molecular Formula
C8H9BrFN
SMILES
CCNC1=C(C=C(C=C1)Br)F
InChI
InChI=1S/C8H9BrFN/c1-2-11-8-4-3-6(9)5-7(8)10/h3-5,11H,2H2,1H3
InChIKey
GUPZNDCSKKVLCR-UHFFFAOYSA-N
Compound name
4-bromo-N-ethyl-2-fluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

216.99023 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.997506 137.4
[M+Na]+ 239.979448 149.3
[M-H]- 215.982954 142.7
[M+NH4]+ 235.024053 159.6
[M+K]+ 255.953388 137.8
[M+H-H2O]+ 199.987490 136.5
[M+HCOO]- 261.988431 159.5
[M+CH3COO]- 276.004081 188.3
[M+Na-2H]- 237.964896 145.2
[M]+ 216.98968142 154.3
[M]- 216.99077858 154.3
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