CID 15366550

4-bromo-5-fluoro-2-nitrobenzaldehyde

Structural Information

Molecular Formula
C7H3BrFNO3
SMILES
C1=C(C(=CC(=C1F)Br)[N+](=O)[O-])C=O
InChI
InChI=1S/C7H3BrFNO3/c8-5-2-7(10(12)13)4(3-11)1-6(5)9/h1-3H
InChIKey
AYSVJBVDPZARKA-UHFFFAOYSA-N
Compound name
4-bromo-5-fluoro-2-nitrobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

246.92802 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.935296 140.4
[M+Na]+ 269.917238 153.3
[M-H]- 245.920744 146.2
[M+NH4]+ 264.961843 160.9
[M+K]+ 285.891178 138.6
[M+H-H2O]+ 229.925280 143.8
[M+HCOO]- 291.926221 163.3
[M+CH3COO]- 305.941871 184.2
[M+Na-2H]- 267.902686 148.5
[M]+ 246.92747142 158.3
[M]- 246.92856858 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