CID 3000887

178870-52-5

Structural Information

Molecular Formula
C16H16ClNO4S
SMILES
CC1=C(C=CO1)C(=S)NC2=CC(=C(C=C2)Cl)OC(=O)OC(C)C
InChI
InChI=1S/C16H16ClNO4S/c1-9(2)21-16(19)22-14-8-11(4-5-13(14)17)18-15(23)12-6-7-20-10(12)3/h4-9H,1-3H3,(H,18,23)
InChIKey
RCTIPTKUUKKGDL-UHFFFAOYSA-N
Compound name
[2-chloro-5-[(2-methylfuran-3-carbothioyl)amino]phenyl] propan-2-yl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

353.04886 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.05614 181.7
[M+Na]+ 376.03808 189.7
[M-H]- 352.04158 190.1
[M+NH4]+ 371.08268 196.7
[M+K]+ 392.01202 186.5
[M+H-H2O]+ 336.04612 176.0
[M+HCOO]- 398.04706 195.0
[M+CH3COO]- 412.06271 210.9
[M+Na-2H]- 374.02353 179.2
[M]+ 353.04831 190.1
[M]- 353.04941 190.1
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.