CID 3001536

165549-79-1

Structural Information

Molecular Formula
C14H18ClNO2S2
SMILES
CC(C)OC(=S)NC1=CC(=C(C=C1)Cl)C(=O)SC(C)C
InChI
InChI=1S/C14H18ClNO2S2/c1-8(2)18-14(19)16-10-5-6-12(15)11(7-10)13(17)20-9(3)4/h5-9H,1-4H3,(H,16,19)
InChIKey
LHTSLYQNIDQCQV-UHFFFAOYSA-N
Compound name
S-propan-2-yl 2-chloro-5-(propan-2-yloxycarbothioylamino)benzenecarbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

331.04675 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.05403 170.2
[M+Na]+ 354.03597 175.9
[M-H]- 330.03947 173.4
[M+NH4]+ 349.08057 185.5
[M+K]+ 370.00991 170.3
[M+H-H2O]+ 314.04401 164.9
[M+HCOO]- 376.04495 175.0
[M+CH3COO]- 390.06060 209.0
[M+Na-2H]- 352.02142 166.0
[M]+ 331.04620 175.5
[M]- 331.04730 175.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.