CID 165693838

2743442-76-2

Structural Information

Molecular Formula
C5H6ClN3OS
SMILES
CS(=N)(=O)C1=CN=C(N=C1)Cl
InChI
InChI=1S/C5H6ClN3OS/c1-11(7,10)4-2-8-5(6)9-3-4/h2-3,7H,1H3
InChIKey
NOFOHDCTSNIXSB-UHFFFAOYSA-N
Compound name
(2-chloropyrimidin-5-yl)-imino-methyl-oxo-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.992 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.99928 136.9
[M+Na]+ 213.98122 149.7
[M+NH4]+ 209.02582 144.7
[M+K]+ 229.95516 142.2
[M-H]- 189.98472 137.6
[M+Na-2H]- 211.96667 143.4
[M]+ 190.99145 139.6
[M]- 190.99255 139.6
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.