CID 84025904

2-methoxypyrimidine-5-sulfonyl chloride

Structural Information

Molecular Formula
C5H5ClN2O3S
SMILES
COC1=NC=C(C=N1)S(=O)(=O)Cl
InChI
InChI=1S/C5H5ClN2O3S/c1-11-5-7-2-4(3-8-5)12(6,9)10/h2-3H,1H3
InChIKey
PPSVRMUAEMFSAC-UHFFFAOYSA-N
Compound name
2-methoxypyrimidine-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.97095 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.97823 139.4
[M+Na]+ 230.96017 152.5
[M+NH4]+ 226.00477 146.6
[M+K]+ 246.93411 145.6
[M-H]- 206.96367 138.8
[M+Na-2H]- 228.94562 145.2
[M]+ 207.97040 141.7
[M]- 207.97150 141.7
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.