CID 174656

Isoxapyrifop

Structural Information

Molecular Formula
C17H16Cl2N2O4
SMILES
CC(C(=O)N1CCCO1)OC2=CC=C(C=C2)OC3=C(C=C(C=N3)Cl)Cl
InChI
InChI=1S/C17H16Cl2N2O4/c1-11(17(22)21-7-2-8-23-21)24-13-3-5-14(6-4-13)25-16-15(19)9-12(18)10-20-16/h3-6,9-11H,2,7-8H2,1H3
InChIKey
ANFHKXSOSRDDRQ-UHFFFAOYSA-N
Compound name
2-[4-(3,5-dichloropyridin-2-yl)oxyphenoxy]-1-(1,2-oxazolidin-2-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10272
Patents

382.0487 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.05598 183.5
[M+Na]+ 405.03792 191.0
[M-H]- 381.04142 190.4
[M+NH4]+ 400.08252 193.7
[M+K]+ 421.01186 187.3
[M+H-H2O]+ 365.04596 174.4
[M+HCOO]- 427.04690 191.6
[M+CH3COO]- 441.06255 212.6
[M+Na-2H]- 403.02337 182.7
[M]+ 382.04815 188.7
[M]- 382.04925 188.7
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