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

87
References

19787
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

literature stripe

Patent stripe

patents stripe