CID 165993783

2-chloromethanesulfonylpyrimidine

Structural Information

Molecular Formula
C5H5ClN2O2S
SMILES
C1=CN=C(N=C1)S(=O)(=O)CCl
InChI
InChI=1S/C5H5ClN2O2S/c6-4-11(9,10)5-7-2-1-3-8-5/h1-3H,4H2
InChIKey
NNFZBCSPDUSCDI-UHFFFAOYSA-N
Compound name
2-(chloromethylsulfonyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.97603 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.98331 132.9
[M+Na]+ 214.96525 143.7
[M-H]- 190.96875 134.6
[M+NH4]+ 210.00985 151.2
[M+K]+ 230.93919 140.0
[M+H-H2O]+ 174.97329 127.3
[M+HCOO]- 236.97423 145.6
[M+CH3COO]- 250.98988 175.1
[M+Na-2H]- 212.95070 139.8
[M]+ 191.97548 137.0
[M]- 191.97658 137.0
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.