CID 53485742

3-chloro-6-nitropyridin-2-amine

Structural Information

Molecular Formula
C5H4ClN3O2
SMILES
C1=CC(=NC(=C1Cl)N)[N+](=O)[O-]
InChI
InChI=1S/C5H4ClN3O2/c6-3-1-2-4(9(10)11)8-5(3)7/h1-2H,(H2,7,8)
InChIKey
KMDAGMZDJCSCAK-UHFFFAOYSA-N
Compound name
3-chloro-6-nitropyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

172.9992 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.00648 129.0
[M+Na]+ 195.98842 138.3
[M-H]- 171.99192 131.4
[M+NH4]+ 191.03302 147.7
[M+K]+ 211.96236 131.4
[M+H-H2O]+ 155.99646 128.4
[M+HCOO]- 217.99740 150.6
[M+CH3COO]- 232.01305 173.2
[M+Na-2H]- 193.97387 137.7
[M]+ 172.99865 127.8
[M]- 172.99975 127.8
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