Profoxydim (C24H32ClNO4S)

Structural Information

Molecular Formula

SMILES

CCCC(=NOCC(C)OC1=CC=C(C=C1)Cl)C2=C(CC(CC2=O)C3CCCSC3)O

InChI

InChI=1S/C24H32ClNO4S/c1-3-5-21(26-29-14-16(2)30-20-9-7-19(25)8-10-20)24-22(27)12-18(13-23(24)28)17-6-4-11-31-15-17/h7-10,16-18,27H,3-6,11-15H2,1-2H3

InChIKey

KRQUFUKTQHISJB-UHFFFAOYSA-N

Compound name

2-[N-[2-(4-chlorophenoxy)propoxy]-C-propylcarbonimidoyl]-3-hydroxy-5-(thian-3-yl)cyclohex-2-en-1-one

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]+	466.18135	209.7
[M+Na]+	488.16329	210.9
[M-H]-	464.16679	217.0
[M+NH4]+	483.20789	218.3
[M+K]+	504.13723	205.6
[M+H-H2O]+	448.17133	201.1
[M+HCOO]-	510.17227	215.5
[M+CH3COO]-	524.18792	234.0
[M+Na-2H]-	486.14874	203.9
[M]+	465.17352	211.1
[M]-	465.17462	211.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

466.18135

209.7

[M+Na]+

488.16329

210.9

[M-H]-

464.16679

217.0

[M+NH4]+

483.20789

218.3

[M+K]+

504.13723

205.6

[M+H-H2O]+

448.17133

201.1

[M+HCOO]-

510.17227

215.5

[M+CH3COO]-

524.18792

234.0

[M+Na-2H]-

486.14874

203.9

[M]+

465.17352

211.1

[M]-

465.17462

211.1

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

Profoxydim

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe