CID 211667

23515-20-0

Structural Information

Molecular Formula
C11H13ClN2S2
SMILES
CCN1CN(C(=S)SC1)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C11H13ClN2S2/c1-2-13-7-14(11(15)16-8-13)10-5-3-4-9(12)6-10/h3-6H,2,7-8H2,1H3
InChIKey
KDXJUWIPDFMNTI-UHFFFAOYSA-N
Compound name
3-(3-chlorophenyl)-5-ethyl-1,3,5-thiadiazinane-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.02087 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.02815 153.4
[M+Na]+ 295.01009 162.3
[M-H]- 271.01359 157.0
[M+NH4]+ 290.05469 169.0
[M+K]+ 310.98403 155.3
[M+H-H2O]+ 255.01813 147.0
[M+HCOO]- 317.01907 156.9
[M+CH3COO]- 331.03472 164.1
[M+Na-2H]- 292.99554 152.3
[M]+ 272.02032 153.5
[M]- 272.02142 153.5
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.