CID 7158

Fenoprop

Structural Information

Molecular Formula
C9H7Cl3O3
SMILES
CC(C(=O)O)OC1=CC(=C(C=C1Cl)Cl)Cl
InChI
InChI=1S/C9H7Cl3O3/c1-4(9(13)14)15-8-3-6(11)5(10)2-7(8)12/h2-4H,1H3,(H,13,14)
InChIKey
ZLSWBLPERHFHIS-UHFFFAOYSA-N
Compound name
2-(2,4,5-trichlorophenoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

41
References

16221
Patents

267.94608 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.953356 145.2
[M+Na]+ 290.935298 155.6
[M-H]- 266.938804 146.8
[M+NH4]+ 285.979903 162.9
[M+K]+ 306.909238 150.6
[M+H-H2O]+ 250.943340 143.1
[M+HCOO]- 312.944281 152.4
[M+CH3COO]- 326.959931 193.0
[M+Na-2H]- 288.920746 146.8
[M]+ 267.94553142 150.1
[M]- 267.94662858 150.1
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