CID 53402805

1-(4-amino-2-bromo-5-fluorophenyl)ethanone

Structural Information

Molecular Formula
C8H7BrFNO
SMILES
CC(=O)C1=CC(=C(C=C1Br)N)F
InChI
InChI=1S/C8H7BrFNO/c1-4(12)5-2-7(10)8(11)3-6(5)9/h2-3H,11H2,1H3
InChIKey
DMYQJQJGHRNJCZ-UHFFFAOYSA-N
Compound name
1-(4-amino-2-bromo-5-fluorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.9695 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.976776 139.7
[M+Na]+ 253.958718 152.3
[M-H]- 229.962224 145.0
[M+NH4]+ 249.003323 161.1
[M+K]+ 269.932658 140.7
[M+H-H2O]+ 213.966760 138.7
[M+HCOO]- 275.967701 160.6
[M+CH3COO]- 289.983351 190.6
[M+Na-2H]- 251.944166 144.5
[M]+ 230.96895142 156.0
[M]- 230.97004858 156.0
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.