CID 234620

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

Structural Information

Molecular Formula
C4H3ClN2O4S
SMILES
C1=C(C(=O)NC(=O)N1)S(=O)(=O)Cl
InChI
InChI=1S/C4H3ClN2O4S/c5-12(10,11)2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
InChIKey
FQHNJCWWBKYCJW-UHFFFAOYSA-N
Compound name
2,4-dioxo-1H-pyrimidine-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

209.95021 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.95749 134.0
[M+Na]+ 232.93943 146.1
[M-H]- 208.94293 133.7
[M+NH4]+ 227.98403 150.3
[M+K]+ 248.91337 140.5
[M+H-H2O]+ 192.94747 129.5
[M+HCOO]- 254.94841 144.7
[M+CH3COO]- 268.96406 172.1
[M+Na-2H]- 230.92488 139.4
[M]+ 209.94966 136.2
[M]- 209.95076 136.2
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

patents stripe