CID 11949285

Fenoxaprop-p

Structural Information

Molecular Formula
C16H12ClNO5
SMILES
C[C@H](C(=O)O)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl
InChI
InChI=1S/C16H12ClNO5/c1-9(15(19)20)21-11-3-5-12(6-4-11)22-16-18-13-7-2-10(17)8-14(13)23-16/h2-9H,1H3,(H,19,20)/t9-/m1/s1
InChIKey
MPPOHAUSNPTFAJ-SECBINFHSA-N
Compound name
(2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

22
References

25087
Patents

333.0404 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.04768 170.3
[M+Na]+ 356.02962 180.6
[M-H]- 332.03312 177.1
[M+NH4]+ 351.07422 184.4
[M+K]+ 372.00356 177.6
[M+H-H2O]+ 316.03766 163.3
[M+HCOO]- 378.03860 186.8
[M+CH3COO]- 392.05425 204.1
[M+Na-2H]- 354.01507 174.3
[M]+ 333.03985 179.1
[M]- 333.04095 179.1
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.