CID 125451958

2-amino-4-bromo-3-fluorobenzaldehyde

Structural Information

Molecular Formula
C7H5BrFNO
SMILES
C1=CC(=C(C(=C1C=O)N)F)Br
InChI
InChI=1S/C7H5BrFNO/c8-5-2-1-4(3-11)7(10)6(5)9/h1-3H,10H2
InChIKey
IEWQADGVLASNGW-UHFFFAOYSA-N
Compound name
2-amino-4-bromo-3-fluorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

216.95386 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.96114 137.9
[M+Na]+ 239.94308 141.0
[M+NH4]+ 234.98768 142.3
[M+K]+ 255.91702 140.9
[M-H]- 215.94658 137.8
[M+Na-2H]- 237.92853 140.9
[M]+ 216.95331 137.0
[M]- 216.95441 137.0
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