CID 86726862

2-amino-4-bromo-5-fluorobenzaldehyde

Structural Information

Molecular Formula
C7H5BrFNO
SMILES
C1=C(C(=CC(=C1F)Br)N)C=O
InChI
InChI=1S/C7H5BrFNO/c8-5-2-7(10)4(3-11)1-6(5)9/h1-3H,10H2
InChIKey
FSGSJAXEUBLJLS-UHFFFAOYSA-N
Compound name
2-amino-4-bromo-5-fluorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

216.95386 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.961136 134.4
[M+Na]+ 239.943078 147.7
[M-H]- 215.946584 139.8
[M+NH4]+ 234.987683 156.5
[M+K]+ 255.917018 135.9
[M+H-H2O]+ 199.951120 133.6
[M+HCOO]- 261.952061 156.6
[M+CH3COO]- 275.967711 187.0
[M+Na-2H]- 237.928526 141.0
[M]+ 216.95331142 151.0
[M]- 216.95440858 151.0
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

patents stripe