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

17
Patents

234.0196 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.02688 147.1
[M+Na]+ 257.00882 155.7
[M-H]- 233.01232 152.6
[M+NH4]+ 252.05342 163.4
[M+K]+ 272.98276 147.2
[M+H-H2O]+ 217.01686 144.5
[M+HCOO]- 279.01780 167.5
[M+CH3COO]- 293.03345 183.2
[M+Na-2H]- 254.99427 155.7
[M]+ 234.01905 147.3
[M]- 234.02015 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