CID 10910058

2-chloro-5-nitropyridin-4-amine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

337
Patents

172.9992 Da
Monoisotopic Mass

1.5
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

literature stripe

Patent stripe

patents stripe