CID 112756273

4-bromo-2-ethoxy-5-fluoroaniline

Structural Information

Molecular Formula
C8H9BrFNO
SMILES
CCOC1=CC(=C(C=C1N)F)Br
InChI
InChI=1S/C8H9BrFNO/c1-2-12-8-3-5(9)6(10)4-7(8)11/h3-4H,2,11H2,1H3
InChIKey
ZEMILLZFCLQWSK-UHFFFAOYSA-N
Compound name
4-bromo-2-ethoxy-5-fluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.98515 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.992426 140.8
[M+Na]+ 255.974368 153.3
[M-H]- 231.977874 145.9
[M+NH4]+ 251.018973 162.3
[M+K]+ 271.948308 141.9
[M+H-H2O]+ 215.982410 139.7
[M+HCOO]- 277.983351 162.4
[M+CH3COO]- 291.999001 190.6
[M+Na-2H]- 253.959816 146.7
[M]+ 232.98460142 158.3
[M]- 232.98569858 158.3
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.