CID 10560063

2-chloro-4-methoxy-6-methyl-3-nitropyridine

Structural Information

Molecular Formula
C7H7ClN2O3
SMILES
CC1=CC(=C(C(=N1)Cl)[N+](=O)[O-])OC
InChI
InChI=1S/C7H7ClN2O3/c1-4-3-5(13-2)6(10(11)12)7(8)9-4/h3H,1-2H3
InChIKey
HZNSXSSJRAACCF-UHFFFAOYSA-N
Compound name
2-chloro-4-methoxy-6-methyl-3-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

202.01453 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.02181 136.8
[M+Na]+ 225.00375 147.0
[M-H]- 201.00725 139.9
[M+NH4]+ 220.04835 155.3
[M+K]+ 240.97769 140.6
[M+H-H2O]+ 185.01179 136.3
[M+HCOO]- 247.01273 157.5
[M+CH3COO]- 261.02838 178.5
[M+Na-2H]- 222.98920 144.6
[M]+ 202.01398 139.8
[M]- 202.01508 139.8
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