CID 114619517

3-bromo-2-iodo-5-nitropyridine

Structural Information

Molecular Formula
C5H2BrIN2O2
SMILES
C1=C(C=NC(=C1Br)I)[N+](=O)[O-]
InChI
InChI=1S/C5H2BrIN2O2/c6-4-1-3(9(10)11)2-8-5(4)7/h1-2H
InChIKey
ZDIOXNCJOHNQAT-UHFFFAOYSA-N
Compound name
3-bromo-2-iodo-5-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

327.83444 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.84172 146.5
[M+Na]+ 350.82366 152.0
[M-H]- 326.82716 145.6
[M+NH4]+ 345.86826 162.0
[M+K]+ 366.79760 144.0
[M+H-H2O]+ 310.83170 146.3
[M+HCOO]- 372.83264 164.4
[M+CH3COO]- 386.84829 187.5
[M+Na-2H]- 348.80911 144.9
[M]+ 327.83389 160.9
[M]- 327.83499 160.9
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