CID 16743966

3-bromo-5-nitrobenzaldehyde

Structural Information

Molecular Formula
C7H4BrNO3
SMILES
C1=C(C=C(C=C1[N+](=O)[O-])Br)C=O
InChI
InChI=1S/C7H4BrNO3/c8-6-1-5(4-10)2-7(3-6)9(11)12/h1-4H
InChIKey
OUDCOMBHRXKPIJ-UHFFFAOYSA-N
Compound name
3-bromo-5-nitrobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

169
Patents

228.93745 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.94473 139.5
[M+Na]+ 251.92667 143.9
[M+NH4]+ 246.97127 144.2
[M+K]+ 267.90061 146.2
[M-H]- 227.93017 141.0
[M+Na-2H]- 249.91212 142.9
[M]+ 228.93690 139.3
[M]- 228.93800 139.3
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

patents stripe