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

2
Patents

207.97095 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.978226 135.5
[M+Na]+ 230.960168 147.0
[M-H]- 206.963674 137.6
[M+NH4]+ 226.004773 153.4
[M+K]+ 246.934108 143.8
[M+H-H2O]+ 190.968210 130.0
[M+HCOO]- 252.969151 148.4
[M+CH3COO]- 266.984801 178.3
[M+Na-2H]- 228.945616 142.0
[M]+ 207.97040142 141.5
[M]- 207.97149858 141.5
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

patents stripe