CID 9589060

Brn 4250866

Structural Information

Molecular Formula
C9H9ClN2OS
SMILES
C1=CC=C(C(=C1)/C=N/NC(=O)CS)Cl
InChI
InChI=1S/C9H9ClN2OS/c10-8-4-2-1-3-7(8)5-11-12-9(13)6-14/h1-5,14H,6H2,(H,12,13)/b11-5+
InChIKey
BUBPRBMPIHAVIS-VZUCSPMQSA-N
Compound name
N-[(E)-(2-chlorophenyl)methylideneamino]-2-sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.0124 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.01968 147.6
[M+Na]+ 251.00162 159.4
[M+NH4]+ 246.04622 156.4
[M+K]+ 266.97556 150.2
[M-H]- 227.00512 151.0
[M+Na-2H]- 248.98707 154.3
[M]+ 228.01185 150.9
[M]- 228.01295 150.9
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.