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
2
Annotation Hits

0
References

9401
Patents

377.04886 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.056136 184.3
[M+Na]+ 400.038078 194.4
[M-H]- 376.041584 191.7
[M+NH4]+ 395.082683 199.5
[M+K]+ 416.012018 189.7
[M+H-H2O]+ 360.046120 177.5
[M+HCOO]- 422.047061 197.5
[M+CH3COO]- 436.062711 212.8
[M+Na-2H]- 398.023526 184.7
[M]+ 377.04831142 195.8
[M]- 377.04940858 195.8
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