CID 408547

Ethyl benzenecarboximidothioate

Structural Information

Molecular Formula
C9H11NS
SMILES
CCSC(=N)C1=CC=CC=C1
InChI
InChI=1S/C9H11NS/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7,10H,2H2,1H3
InChIKey
TTWNLSKLEVOYIK-UHFFFAOYSA-N
Compound name
ethyl benzenecarboximidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

165.06122 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.06850 133.6
[M+Na]+ 188.05044 140.5
[M-H]- 164.05394 137.3
[M+NH4]+ 183.09504 154.5
[M+K]+ 204.02438 137.3
[M+H-H2O]+ 148.05848 127.7
[M+HCOO]- 210.05942 152.9
[M+CH3COO]- 224.07507 179.3
[M+Na-2H]- 186.03589 137.6
[M]+ 165.06067 133.5
[M]- 165.06177 133.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe