CID 243015

2-bromo-4-nitropyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

203
Patents

201.93779 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.945066 129.7
[M+Na]+ 224.927008 141.7
[M-H]- 200.930514 135.4
[M+NH4]+ 219.971613 150.6
[M+K]+ 240.900948 128.0
[M+H-H2O]+ 184.935050 133.7
[M+HCOO]- 246.935991 153.0
[M+CH3COO]- 260.951641 175.4
[M+Na-2H]- 222.912456 141.1
[M]+ 201.93724142 147.4
[M]- 201.93833858 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

literature stripe

Patent stripe

patents stripe