CID 211673

23515-27-7

Structural Information

Molecular Formula
C11H13ClN2OS2
SMILES
C1N(CSC(=S)N1C2=CC=C(C=C2)Cl)CCO
InChI
InChI=1S/C11H13ClN2OS2/c12-9-1-3-10(4-2-9)14-7-13(5-6-15)8-17-11(14)16/h1-4,15H,5-8H2
InChIKey
LZBGTTMFPNVASD-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-5-(2-hydroxyethyl)-1,3,5-thiadiazinane-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.01578 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.02306 156.5
[M+Na]+ 311.00500 164.8
[M-H]- 287.00850 158.7
[M+NH4]+ 306.04960 170.7
[M+K]+ 326.97894 157.4
[M+H-H2O]+ 271.01304 150.4
[M+HCOO]- 333.01398 158.9
[M+CH3COO]- 347.02963 166.4
[M+Na-2H]- 308.99045 155.5
[M]+ 288.01523 156.2
[M]- 288.01633 156.2
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.