CID 11492706

5-chloro-1-(4-nitrophenyl)pyrimidine-2,4-dione

Structural Information

Molecular Formula
C10H6ClN3O4
SMILES
C1=CC(=CC=C1N2C=C(C(=O)NC2=O)Cl)[N+](=O)[O-]
InChI
InChI=1S/C10H6ClN3O4/c11-8-5-13(10(16)12-9(8)15)6-1-3-7(4-2-6)14(17)18/h1-5H,(H,12,15,16)
InChIKey
JJKBGXOIMIFSHJ-UHFFFAOYSA-N
Compound name
5-chloro-1-(4-nitrophenyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.00467 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.01195 150.9
[M+Na]+ 289.99389 161.4
[M-H]- 265.99739 154.7
[M+NH4]+ 285.03849 164.1
[M+K]+ 305.96783 152.0
[M+H-H2O]+ 250.00193 148.0
[M+HCOO]- 312.00287 169.5
[M+CH3COO]- 326.01852 185.0
[M+Na-2H]- 287.97934 158.8
[M]+ 267.00412 151.4
[M]- 267.00522 151.4
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.