CID 4269500

4,6-dichloro-2-methyl-3-nitropyridine

Structural Information

Molecular Formula
C6H4Cl2N2O2
SMILES
CC1=C(C(=CC(=N1)Cl)Cl)[N+](=O)[O-]
InChI
InChI=1S/C6H4Cl2N2O2/c1-3-6(10(11)12)4(7)2-5(8)9-3/h2H,1H3
InChIKey
QLHLRJUPEKKBBN-UHFFFAOYSA-N
Compound name
4,6-dichloro-2-methyl-3-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

205.96498 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.972256 136.0
[M+Na]+ 228.954198 146.6
[M-H]- 204.957704 138.1
[M+NH4]+ 223.998803 154.5
[M+K]+ 244.928138 138.8
[M+H-H2O]+ 188.962240 136.5
[M+HCOO]- 250.963181 151.5
[M+CH3COO]- 264.978831 178.4
[M+Na-2H]- 226.939646 143.1
[M]+ 205.96443142 138.1
[M]- 205.96552858 138.1
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