CID 98041876

2-bromo-4-fluoro-5-(trifluoromethoxy)aniline

Structural Information

Molecular Formula
C7H4BrF4NO
SMILES
C1=C(C(=CC(=C1OC(F)(F)F)F)Br)N
InChI
InChI=1S/C7H4BrF4NO/c8-3-1-4(9)6(2-5(3)13)14-7(10,11)12/h1-2H,13H2
InChIKey
NNYYXTHPUFLAOQ-UHFFFAOYSA-N
Compound name
2-bromo-4-fluoro-5-(trifluoromethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

272.94125 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.94853 149.2
[M+Na]+ 295.93047 162.7
[M-H]- 271.93397 150.8
[M+NH4]+ 290.97507 168.9
[M+K]+ 311.90441 150.5
[M+H-H2O]+ 255.93851 145.9
[M+HCOO]- 317.93945 166.5
[M+CH3COO]- 331.95510 195.4
[M+Na-2H]- 293.91592 154.0
[M]+ 272.94070 162.2
[M]- 272.94180 162.2
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

patents stripe