CID 155821969

2-bromo-5-nitrobenzene-1,3-dicarbaldehyde

Structural Information

Molecular Formula
C8H4BrNO4
SMILES
C1=C(C=C(C(=C1C=O)Br)C=O)[N+](=O)[O-]
InChI
InChI=1S/C8H4BrNO4/c9-8-5(3-11)1-7(10(13)14)2-6(8)4-12/h1-4H
InChIKey
QJRYMSLCTSYJFH-UHFFFAOYSA-N
Compound name
2-bromo-5-nitrobenzene-1,3-dicarbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.93237 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.93965 142.6
[M+Na]+ 279.92159 155.1
[M-H]- 255.92509 149.6
[M+NH4]+ 274.96619 162.7
[M+K]+ 295.89553 140.6
[M+H-H2O]+ 239.92963 146.6
[M+HCOO]- 301.93057 166.6
[M+CH3COO]- 315.94622 185.5
[M+Na-2H]- 277.90704 151.0
[M]+ 256.93182 162.6
[M]- 256.93292 162.6
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

No patent data available for this compound.