CID 73553655

2-chloro-4-fluoro-5-nitropyrimidine

Structural Information

Molecular Formula
C4HClFN3O2
SMILES
C1=C(C(=NC(=N1)Cl)F)[N+](=O)[O-]
InChI
InChI=1S/C4HClFN3O2/c5-4-7-1-2(9(10)11)3(6)8-4/h1H
InChIKey
ZAGRRWPIYKNPOU-UHFFFAOYSA-N
Compound name
2-chloro-4-fluoro-5-nitropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

176.97414 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.98142 125.5
[M+Na]+ 199.96336 136.1
[M-H]- 175.96686 125.8
[M+NH4]+ 195.00796 143.2
[M+K]+ 215.93730 129.4
[M+H-H2O]+ 159.97140 123.4
[M+HCOO]- 221.97234 144.6
[M+CH3COO]- 235.98799 171.8
[M+Na-2H]- 197.94881 135.2
[M]+ 176.97359 124.9
[M]- 176.97469 124.9
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