CID 11148232

4-chloro-2-(methylsulfonyl)pyrimidine

Structural Information

Molecular Formula
C5H5ClN2O2S
SMILES
CS(=O)(=O)C1=NC=CC(=N1)Cl
InChI
InChI=1S/C5H5ClN2O2S/c1-11(9,10)5-7-3-2-4(6)8-5/h2-3H,1H3
InChIKey
BWVZLXTZQHILRC-UHFFFAOYSA-N
Compound name
4-chloro-2-methylsulfonylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

637
Patents

191.97603 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.98331 132.6
[M+Na]+ 214.96525 144.2
[M-H]- 190.96875 134.7
[M+NH4]+ 210.00985 151.2
[M+K]+ 230.93919 140.5
[M+H-H2O]+ 174.97329 127.2
[M+HCOO]- 236.97423 145.2
[M+CH3COO]- 250.98988 176.2
[M+Na-2H]- 212.95070 138.8
[M]+ 191.97548 137.1
[M]- 191.97658 137.1
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

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