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

22881
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

literature stripe

Patent stripe

patents stripe