CID 21875737

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

Structural Information

Molecular Formula
C6H4Cl2N2O2
SMILES
CC1=CC(=NC(=C1[N+](=O)[O-])Cl)Cl
InChI
InChI=1S/C6H4Cl2N2O2/c1-3-2-4(7)9-6(8)5(3)10(11)12/h2H,1H3
InChIKey
CMJNIYUZFQWYCK-UHFFFAOYSA-N
Compound name
2,6-dichloro-4-methyl-3-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

187
Patents

205.96498 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.97226 136.0
[M+Na]+ 228.95420 146.6
[M-H]- 204.95770 138.1
[M+NH4]+ 223.99880 154.5
[M+K]+ 244.92814 138.8
[M+H-H2O]+ 188.96224 136.5
[M+HCOO]- 250.96318 151.5
[M+CH3COO]- 264.97883 178.4
[M+Na-2H]- 226.93965 143.1
[M]+ 205.96443 138.1
[M]- 205.96553 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