PubChemLite - Propaquizafop (C22H22ClN3O5)

Structural Information

Molecular Formula

SMILES

C[C@H](C(=O)OCCON=C(C)C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl

InChI

InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1

InChIKey

FROBCXTULYFHEJ-OAHLLOKOSA-N

Compound name

2-(propan-2-ylideneamino)oxyethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	444.13208	201.4
[M+Na]+	466.11402	215.0
[M+NH4]+	461.15862	206.5
[M+K]+	482.08796	208.2
[M-H]-	442.11752	204.2
[M+Na-2H]-	464.09947	207.9
[M]+	443.12425	204.2
[M]-	443.12535	204.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

444.13208

201.4

[M+Na]+

466.11402

215.0

[M+NH4]+

461.15862

206.5

[M+K]+

482.08796

208.2

[M-H]-

442.11752

204.2

[M+Na-2H]-

464.09947

207.9

[M]+

443.12425

204.2

[M]-

443.12535

204.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Propaquizafop

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe