CID 56716

Fenthiaprop-ethyl

Structural Information

Molecular Formula
C18H16ClNO4S
SMILES
CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC3=C(S2)C=C(C=C3)Cl
InChI
InChI=1S/C18H16ClNO4S/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3
InChIKey
HVCNNTAUBZIYCG-UHFFFAOYSA-N
Compound name
ethyl 2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

919
Patents

377.04886 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.05614 183.6
[M+Na]+ 400.03808 198.1
[M+NH4]+ 395.08268 191.5
[M+K]+ 416.01202 190.5
[M-H]- 376.04158 186.9
[M+Na-2H]- 398.02353 190.4
[M]+ 377.04831 187.4
[M]- 377.04941 187.4
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

patents stripe