CID 23436857

4-bromo-2-nitropyridine

Structural Information

Molecular Formula
C5H3BrN2O2
SMILES
C1=CN=C(C=C1Br)[N+](=O)[O-]
InChI
InChI=1S/C5H3BrN2O2/c6-4-1-2-7-5(3-4)8(9)10/h1-3H
InChIKey
MCVCQPYYTSNQSG-UHFFFAOYSA-N
Compound name
4-bromo-2-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

201.93779 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.94507 129.7
[M+Na]+ 224.92701 141.7
[M-H]- 200.93051 135.4
[M+NH4]+ 219.97161 150.6
[M+K]+ 240.90095 128.0
[M+H-H2O]+ 184.93505 133.7
[M+HCOO]- 246.93599 153.0
[M+CH3COO]- 260.95164 175.4
[M+Na-2H]- 222.91246 141.1
[M]+ 201.93724 147.4
[M]- 201.93834 147.4
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