CID 13080979

2-chloro-4-methoxy-6-methyl-5-nitropyrimidine

Structural Information

Molecular Formula
C6H6ClN3O3
SMILES
CC1=C(C(=NC(=N1)Cl)OC)[N+](=O)[O-]
InChI
InChI=1S/C6H6ClN3O3/c1-3-4(10(11)12)5(13-2)9-6(7)8-3/h1-2H3
InChIKey
PNVXPMQAFHWYMN-UHFFFAOYSA-N
Compound name
2-chloro-4-methoxy-6-methyl-5-nitropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

203.00977 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.01705 136.1
[M+Na]+ 225.99899 146.6
[M-H]- 202.00249 137.9
[M+NH4]+ 221.04359 153.1
[M+K]+ 241.97293 140.3
[M+H-H2O]+ 186.00703 134.7
[M+HCOO]- 248.00797 155.7
[M+CH3COO]- 262.02362 178.3
[M+Na-2H]- 223.98444 144.6
[M]+ 203.00922 139.0
[M]- 203.01032 139.0
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