CID 2725606

Usaf t-8

Structural Information

Molecular Formula
C11H12ClNO2S2
SMILES
CCOC(=O)CSC(=S)NC1=CC=C(C=C1)Cl
InChI
InChI=1S/C11H12ClNO2S2/c1-2-15-10(14)7-17-11(16)13-9-5-3-8(12)4-6-9/h3-6H,2,7H2,1H3,(H,13,16)
InChIKey
QDBQKKKIBHKLLB-UHFFFAOYSA-N
Compound name
ethyl 2-[(4-chlorophenyl)carbamothioylsulfanyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.9998 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.00708 159.1
[M+Na]+ 311.98902 166.0
[M-H]- 287.99252 162.4
[M+NH4]+ 307.03362 175.9
[M+K]+ 327.96296 159.9
[M+H-H2O]+ 271.99706 153.7
[M+HCOO]- 333.99800 167.0
[M+CH3COO]- 348.01365 197.4
[M+Na-2H]- 309.97447 158.4
[M]+ 288.99925 163.9
[M]- 289.00035 163.9
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.