CID 64341367

1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl chloride

Structural Information

Molecular Formula
C5H5ClN2O4S
SMILES
CN1C=C(C(=O)NC1=O)S(=O)(=O)Cl
InChI
InChI=1S/C5H5ClN2O4S/c1-8-2-3(13(6,11)12)4(9)7-5(8)10/h2H,1H3,(H,7,9,10)
InChIKey
DITGBQGSWHCHRM-UHFFFAOYSA-N
Compound name
1-methyl-2,4-dioxopyrimidine-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.96585 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.973126 137.3
[M+Na]+ 246.955068 150.3
[M-H]- 222.958574 138.7
[M+NH4]+ 241.999673 154.1
[M+K]+ 262.929008 145.5
[M+H-H2O]+ 206.963110 132.6
[M+HCOO]- 268.964051 149.2
[M+CH3COO]- 282.979701 178.7
[M+Na-2H]- 244.940516 142.1
[M]+ 223.96530142 142.2
[M]- 223.96639858 142.2
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.