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

25
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 134.4
[M+Na]+ 239.94308 147.7
[M-H]- 215.94658 139.8
[M+NH4]+ 234.98768 156.5
[M+K]+ 255.91702 135.9
[M+H-H2O]+ 199.95112 133.6
[M+HCOO]- 261.95206 156.6
[M+CH3COO]- 275.96771 187.0
[M+Na-2H]- 237.92853 141.0
[M]+ 216.95331 151.0
[M]- 216.95441 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