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

36
Patents

264.03018 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.037456 155.0
[M+Na]+ 287.019398 163.0
[M-H]- 263.022904 160.3
[M+NH4]+ 282.064003 169.9
[M+K]+ 302.993338 154.7
[M+H-H2O]+ 247.027440 151.9
[M+HCOO]- 309.028381 175.2
[M+CH3COO]- 323.044031 188.3
[M+Na-2H]- 285.004846 163.1
[M]+ 264.02963142 156.9
[M]- 264.03072858 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