CID 10846412

186413-77-4

Structural Information

Molecular Formula
C8H9ClN2O3
SMILES
CC(C)OC1=C(C=CC(=N1)Cl)[N+](=O)[O-]
InChI
InChI=1S/C8H9ClN2O3/c1-5(2)14-8-6(11(12)13)3-4-7(9)10-8/h3-5H,1-2H3
InChIKey
DKFKAZUTHFILIQ-UHFFFAOYSA-N
Compound name
6-chloro-3-nitro-2-propan-2-yloxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

216.03017 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.03745 141.4
[M+Na]+ 239.01939 150.0
[M-H]- 215.02289 144.0
[M+NH4]+ 234.06399 158.9
[M+K]+ 254.99333 143.8
[M+H-H2O]+ 199.02743 140.5
[M+HCOO]- 261.02837 160.8
[M+CH3COO]- 275.04402 181.2
[M+Na-2H]- 237.00484 148.1
[M]+ 216.02962 143.8
[M]- 216.03072 143.8
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