CID 735152

2-chloro-4-nitropyridine

Structural Information

Molecular Formula
C5H3ClN2O2
SMILES
C1=CN=C(C=C1[N+](=O)[O-])Cl
InChI
InChI=1S/C5H3ClN2O2/c6-5-3-4(8(9)10)1-2-7-5/h1-3H
InChIKey
LIEPVGBDUYKPLC-UHFFFAOYSA-N
Compound name
2-chloro-4-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1382
Patents

157.98831 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.99559 125.1
[M+Na]+ 180.97753 134.4
[M-H]- 156.98103 127.7
[M+NH4]+ 176.02213 144.7
[M+K]+ 196.95147 128.0
[M+H-H2O]+ 140.98557 124.6
[M+HCOO]- 202.98651 146.3
[M+CH3COO]- 217.00216 168.2
[M+Na-2H]- 178.96298 135.1
[M]+ 157.98776 125.2
[M]- 157.98886 125.2
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