CID 47938

Fenoxaprop-ethyl

Structural Information

Molecular Formula
C18H16ClNO5
SMILES
CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl
InChI
InChI=1S/C18H16ClNO5/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
PQKBPHSEKWERTG-UHFFFAOYSA-N
Compound name
ethyl 2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

88
References

21500
Patents

361.0717 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.07898 180.2
[M+Na]+ 384.06092 190.1
[M-H]- 360.06442 188.0
[M+NH4]+ 379.10552 193.9
[M+K]+ 400.03486 187.5
[M+H-H2O]+ 344.06896 172.5
[M+HCOO]- 406.06990 197.5
[M+CH3COO]- 420.08555 211.6
[M+Na-2H]- 382.04637 183.4
[M]+ 361.07115 191.3
[M]- 361.07225 191.3
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.