CID 9588388

Ethanimidamide, 2-((4-chloro-2-methoxyphenyl)thio)-n-hydroxy-, monohydrochloride

Structural Information

Molecular Formula
C9H11ClN2O2S
SMILES
COC1=C(C=CC(=C1)Cl)SC/C(=N\O)/N
InChI
InChI=1S/C9H11ClN2O2S/c1-14-7-4-6(10)2-3-8(7)15-5-9(11)12-13/h2-4,13H,5H2,1H3,(H2,11,12)
InChIKey
UEVADXFXJFBUDX-UHFFFAOYSA-N
Compound name
2-(4-chloro-2-methoxyphenyl)sulfanyl-N'-hydroxyethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.02298 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.03026 150.0
[M+Na]+ 269.01220 158.0
[M-H]- 245.01570 153.6
[M+NH4]+ 264.05680 168.2
[M+K]+ 284.98614 153.5
[M+H-H2O]+ 229.02024 144.7
[M+HCOO]- 291.02118 165.6
[M+CH3COO]- 305.03683 193.7
[M+Na-2H]- 266.99765 151.8
[M]+ 246.02243 153.6
[M]- 246.02353 153.6
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.