CID 6340054

2-((4-chlorophenyl)thio)-n-hydroxyethanimidamide hydrochloride

Structural Information

Molecular Formula
C8H9ClN2OS
SMILES
C1=CC(=CC=C1SC/C(=N\O)/N)Cl
InChI
InChI=1S/C8H9ClN2OS/c9-6-1-3-7(4-2-6)13-5-8(10)11-12/h1-4,12H,5H2,(H2,10,11)
InChIKey
QZQBWSKCYMEUSH-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)sulfanyl-N'-hydroxyethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

216.0124 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.01968 142.7
[M+Na]+ 239.00162 150.5
[M-H]- 215.00512 146.1
[M+NH4]+ 234.04622 161.8
[M+K]+ 254.97556 145.6
[M+H-H2O]+ 199.00966 137.5
[M+HCOO]- 261.01060 158.3
[M+CH3COO]- 275.02625 187.5
[M+Na-2H]- 236.98707 145.5
[M]+ 216.01185 144.1
[M]- 216.01295 144.1
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

patents stripe