CID 3055776

Brn 0418286

Structural Information

Molecular Formula
C6H7ClN3O5P
SMILES
COP(=O)(C1=NC(=NC=C1[N+](=O)[O-])Cl)OC
InChI
InChI=1S/C6H7ClN3O5P/c1-14-16(13,15-2)5-4(10(11)12)3-8-6(7)9-5/h3H,1-2H3
InChIKey
RZDXNCKJLPTSJA-UHFFFAOYSA-N
Compound name
2-chloro-4-dimethoxyphosphoryl-5-nitropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.98117 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.98845 147.1
[M+Na]+ 289.97039 156.2
[M-H]- 265.97389 148.1
[M+NH4]+ 285.01499 161.7
[M+K]+ 305.94433 151.0
[M+H-H2O]+ 249.97843 143.4
[M+HCOO]- 311.97937 170.9
[M+CH3COO]- 325.99502 187.4
[M+Na-2H]- 287.95584 155.4
[M]+ 266.98062 152.3
[M]- 266.98172 152.3
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

No patent data available for this compound.