CID 46314698

2-chloro-5-nitro-3-phenylpyridine

Structural Information

Molecular Formula
C11H7ClN2O2
SMILES
C1=CC=C(C=C1)C2=C(N=CC(=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C11H7ClN2O2/c12-11-10(8-4-2-1-3-5-8)6-9(7-13-11)14(15)16/h1-7H
InChIKey
NBOFTXBTCLHAJL-UHFFFAOYSA-N
Compound name
2-chloro-5-nitro-3-phenylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

234.0196 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.026876 147.1
[M+Na]+ 257.008818 155.7
[M-H]- 233.012324 152.6
[M+NH4]+ 252.053423 163.4
[M+K]+ 272.982758 147.2
[M+H-H2O]+ 217.016860 144.5
[M+HCOO]- 279.017801 167.5
[M+CH3COO]- 293.033451 183.2
[M+Na-2H]- 254.994266 155.7
[M]+ 234.01905142 147.3
[M]- 234.02014858 147.3
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