CID 22565267

2-(benzyloxy)-6-chloro-3-nitropyridine

Structural Information

Molecular Formula
C12H9ClN2O3
SMILES
C1=CC=C(C=C1)COC2=C(C=CC(=N2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C12H9ClN2O3/c13-11-7-6-10(15(16)17)12(14-11)18-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKey
NVBPUWHAXMBULS-UHFFFAOYSA-N
Compound name
6-chloro-3-nitro-2-phenylmethoxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

264.03018 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.03746 155.0
[M+Na]+ 287.01940 163.0
[M-H]- 263.02290 160.3
[M+NH4]+ 282.06400 169.9
[M+K]+ 302.99334 154.7
[M+H-H2O]+ 247.02744 151.9
[M+HCOO]- 309.02838 175.2
[M+CH3COO]- 323.04403 188.3
[M+Na-2H]- 285.00485 163.1
[M]+ 264.02963 156.9
[M]- 264.03073 156.9
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