CID 211666

23515-19-7

Structural Information

Molecular Formula
C10H11ClN2S2
SMILES
CN1CN(C(=S)SC1)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C10H11ClN2S2/c1-12-6-13(10(14)15-7-12)9-4-2-3-8(11)5-9/h2-5H,6-7H2,1H3
InChIKey
CIEFFIHSJUQBGB-UHFFFAOYSA-N
Compound name
3-(3-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 149.3
[M+Na]+ 280.99444 158.6
[M-H]- 256.99794 153.1
[M+NH4]+ 276.03904 165.5
[M+K]+ 296.96838 151.9
[M+H-H2O]+ 241.00248 143.1
[M+HCOO]- 303.00342 153.2
[M+CH3COO]- 317.01907 160.4
[M+Na-2H]- 278.97989 148.7
[M]+ 258.00467 149.0
[M]- 258.00577 149.0
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.