CID 9570468

Brn 2116236

Structural Information

Molecular Formula
C8H10ClN3O3S
SMILES
C/C(=N\OC(=O)NC(=O)CCl)/SCCC#N
InChI
InChI=1S/C8H10ClN3O3S/c1-6(16-4-2-3-10)12-15-8(14)11-7(13)5-9/h2,4-5H2,1H3,(H,11,13,14)/b12-6+
InChIKey
USZRADITSYEANK-WUXMJOGZSA-N
Compound name
2-cyanoethyl (1E)-N-[(2-chloroacetyl)carbamoyloxy]ethanimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.01315 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.02043 152.7
[M+Na]+ 286.00237 159.3
[M+NH4]+ 281.04697 155.1
[M+K]+ 301.97631 151.0
[M-H]- 262.00587 144.4
[M+Na-2H]- 283.98782 152.0
[M]+ 263.01260 150.6
[M]- 263.01370 150.6
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.