CID 211675

23515-29-9

Structural Information

Molecular Formula
C10H10Cl2N2S2
SMILES
CN1CN(C(=S)SC1)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C10H10Cl2N2S2/c1-13-5-14(10(15)16-6-13)7-2-3-8(11)9(12)4-7/h2-4H,5-6H2,1H3
InChIKey
QAYODENXMUMJAX-UHFFFAOYSA-N
Compound name
3-(3,4-dichlorophenyl)-5-methyl-1,3,5-thiadiazinane-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.96625 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.97353 154.3
[M+Na]+ 314.95547 164.3
[M-H]- 290.95897 157.9
[M+NH4]+ 310.00007 169.7
[M+K]+ 330.92941 156.9
[M+H-H2O]+ 274.96351 149.0
[M+HCOO]- 336.96445 153.1
[M+CH3COO]- 350.98010 164.9
[M+Na-2H]- 312.94092 152.4
[M]+ 291.96570 155.1
[M]- 291.96680 155.1
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

No patent data available for this compound.