CID 71464178

2,5-dibromo-4-nitropyridine

Structural Information

Molecular Formula
C5H2Br2N2O2
SMILES
C1=C(C(=CN=C1Br)Br)[N+](=O)[O-]
InChI
InChI=1S/C5H2Br2N2O2/c6-3-2-8-5(7)1-4(3)9(10)11/h1-2H
InChIKey
QQNCRXJHMWJGQK-UHFFFAOYSA-N
Compound name
2,5-dibromo-4-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

279.8483 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.855576 136.3
[M+Na]+ 302.837518 147.8
[M-H]- 278.841024 142.6
[M+NH4]+ 297.882123 154.6
[M+K]+ 318.811458 129.7
[M+H-H2O]+ 262.845560 147.1
[M+HCOO]- 324.846501 153.8
[M+CH3COO]- 338.862151 195.6
[M+Na-2H]- 300.822966 145.9
[M]+ 279.84775142 170.3
[M]- 279.84884858 170.3
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