CID 3032469

Brn 0800731

Structural Information

Molecular Formula
C11H11ClN2OS2
SMILES
CC1(C(=S)NC(=S)N1)COC2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H11ClN2OS2/c1-11(9(16)13-10(17)14-11)6-15-8-4-2-7(12)3-5-8/h2-5H,6H2,1H3,(H2,13,14,16,17)
InChIKey
PEJLAEJLAYRAIJ-UHFFFAOYSA-N
Compound name
5-[(4-chlorophenoxy)methyl]-5-methylimidazolidine-2,4-dithione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.00012 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.00740 157.0
[M+Na]+ 308.98934 167.2
[M-H]- 284.99284 158.7
[M+NH4]+ 304.03394 174.5
[M+K]+ 324.96328 159.0
[M+H-H2O]+ 268.99738 152.8
[M+HCOO]- 330.99832 160.4
[M+CH3COO]- 345.01397 167.6
[M+Na-2H]- 306.97479 155.4
[M]+ 285.99957 157.1
[M]- 286.00067 157.1
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.