CID 58557174

4-chloro-3-iodo-5-nitropyridin-2-amine

Structural Information

Molecular Formula
C5H3ClIN3O2
SMILES
C1=C(C(=C(C(=N1)N)I)Cl)[N+](=O)[O-]
InChI
InChI=1S/C5H3ClIN3O2/c6-3-2(10(11)12)1-9-5(8)4(3)7/h1H,(H2,8,9)
InChIKey
MQLJBCPFYLVQQL-UHFFFAOYSA-N
Compound name
4-chloro-3-iodo-5-nitropyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

298.89584 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.90312 147.6
[M+Na]+ 321.88506 150.2
[M-H]- 297.88856 143.3
[M+NH4]+ 316.92966 160.8
[M+K]+ 337.85900 149.0
[M+H-H2O]+ 281.89310 143.0
[M+HCOO]- 343.89404 163.6
[M+CH3COO]- 357.90969 186.0
[M+Na-2H]- 319.87051 142.6
[M]+ 298.89529 144.1
[M]- 298.89639 144.1
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