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 134.4
[M+Na]+ 213.98122 145.3
[M-H]- 189.98472 136.3
[M+NH4]+ 209.02582 152.7
[M+K]+ 229.95516 140.8
[M+H-H2O]+ 173.98926 128.8
[M+HCOO]- 235.99020 147.7
[M+CH3COO]- 250.00585 178.9
[M+Na-2H]- 211.96667 140.9
[M]+ 190.99145 136.7
[M]- 190.99255 136.7
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.