CID 2784819

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

414
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

literature stripe

Patent stripe

patents stripe