CID 61718688

3-bromo-4-(3-fluorophenoxy)aniline

Structural Information

Molecular Formula
C12H9BrFNO
SMILES
C1=CC(=CC(=C1)F)OC2=C(C=C(C=C2)N)Br
InChI
InChI=1S/C12H9BrFNO/c13-11-7-9(15)4-5-12(11)16-10-3-1-2-8(14)6-10/h1-7H,15H2
InChIKey
FBFGGBXVGHNBEL-UHFFFAOYSA-N
Compound name
3-bromo-4-(3-fluorophenoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.98514 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.99242 153.5
[M+Na]+ 303.97436 165.5
[M-H]- 279.97786 161.4
[M+NH4]+ 299.01896 172.8
[M+K]+ 319.94830 153.2
[M+H-H2O]+ 263.98240 151.5
[M+HCOO]- 325.98334 175.4
[M+CH3COO]- 339.99899 197.8
[M+Na-2H]- 301.95981 159.8
[M]+ 280.98459 170.3
[M]- 280.98569 170.3
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.