CID 18455595

4-bromo-2-fluoro-5-nitrobenzaldehyde

Structural Information

Molecular Formula
C7H3BrFNO3
SMILES
C1=C(C(=CC(=C1[N+](=O)[O-])Br)F)C=O
InChI
InChI=1S/C7H3BrFNO3/c8-5-2-6(9)4(3-11)1-7(5)10(12)13/h1-3H
InChIKey
ZAROJBMUUUKZBH-UHFFFAOYSA-N
Compound name
4-bromo-2-fluoro-5-nitrobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

246.92802 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.93530 140.4
[M+Na]+ 269.91724 153.3
[M-H]- 245.92074 146.2
[M+NH4]+ 264.96184 160.9
[M+K]+ 285.89118 138.6
[M+H-H2O]+ 229.92528 143.8
[M+HCOO]- 291.92622 163.3
[M+CH3COO]- 305.94187 184.2
[M+Na-2H]- 267.90269 148.5
[M]+ 246.92747 158.3
[M]- 246.92857 158.3
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