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]+ 224.97313 137.3
[M+Na]+ 246.95507 150.3
[M-H]- 222.95857 138.7
[M+NH4]+ 241.99967 154.1
[M+K]+ 262.92901 145.5
[M+H-H2O]+ 206.96311 132.6
[M+HCOO]- 268.96405 149.2
[M+CH3COO]- 282.97970 178.7
[M+Na-2H]- 244.94052 142.1
[M]+ 223.96530 142.2
[M]- 223.96640 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.