CID 9589335

Brn 3552078

Structural Information

Molecular Formula
C10H10Cl2N2OS
SMILES
CSCC(=O)N/N=C/C1=C(C=CC=C1Cl)Cl
InChI
InChI=1S/C10H10Cl2N2OS/c1-16-6-10(15)14-13-5-7-8(11)3-2-4-9(7)12/h2-5H,6H2,1H3,(H,14,15)/b13-5+
InChIKey
RBANMUGEDGILAW-WLRTZDKTSA-N
Compound name
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-methylsulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.98907 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.99635 157.0
[M+Na]+ 298.97829 165.8
[M-H]- 274.98179 161.8
[M+NH4]+ 294.02289 175.4
[M+K]+ 314.95223 159.9
[M+H-H2O]+ 258.98633 152.4
[M+HCOO]- 320.98727 169.2
[M+CH3COO]- 335.00292 200.7
[M+Na-2H]- 296.96374 158.8
[M]+ 275.98852 162.6
[M]- 275.98962 162.6
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.