CID 4171056

5-chloro-6-(chloromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

Structural Information

Molecular Formula
C5H4Cl2N2O2
SMILES
C(C1=C(C(=O)NC(=O)N1)Cl)Cl
InChI
InChI=1S/C5H4Cl2N2O2/c6-1-2-3(7)4(10)9-5(11)8-2/h1H2,(H2,8,9,10,11)
InChIKey
BXVCXZREYQLVTA-UHFFFAOYSA-N
Compound name
5-chloro-6-(chloromethyl)-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
Patents

193.96498 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.97226 129.7
[M+Na]+ 216.95420 142.1
[M-H]- 192.95770 128.3
[M+NH4]+ 211.99880 147.0
[M+K]+ 232.92814 135.9
[M+H-H2O]+ 176.96224 125.3
[M+HCOO]- 238.96318 140.9
[M+CH3COO]- 252.97883 174.3
[M+Na-2H]- 214.93965 135.7
[M]+ 193.96443 130.7
[M]- 193.96553 130.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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