CID 72814

6317-16-4

Structural Information

Molecular Formula
C10H11ClN2S2
SMILES
CN1CN(C(=S)SC1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C10H11ClN2S2/c1-12-6-13(10(14)15-7-12)9-4-2-8(11)3-5-9/h2-5H,6-7H2,1H3
InChIKey
UOGTXAYVIQTJJD-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-5-methyl-1,3,5-thiadiazinane-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.00522 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.01250 152.3
[M+Na]+ 280.99444 166.5
[M+NH4]+ 276.03904 162.2
[M+K]+ 296.96838 154.6
[M-H]- 256.99794 156.6
[M+Na-2H]- 278.97989 158.8
[M]+ 258.00467 156.9
[M]- 258.00577 156.9
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.