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

literature stripe

Patent stripe

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