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

7513
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 184.3
[M+Na]+ 400.03808 194.4
[M-H]- 376.04158 191.7
[M+NH4]+ 395.08268 199.5
[M+K]+ 416.01202 189.7
[M+H-H2O]+ 360.04612 177.5
[M+HCOO]- 422.04706 197.5
[M+CH3COO]- 436.06271 212.8
[M+Na-2H]- 398.02353 184.7
[M]+ 377.04831 195.8
[M]- 377.04941 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