CID 11714234

Pentoxazone

Structural Information

Molecular Formula
C17H17ClFNO4
SMILES
CC(=C1C(=O)N(C(=O)O1)C2=CC(=C(C=C2F)Cl)OC3CCCC3)C
InChI
InChI=1S/C17H17ClFNO4/c1-9(2)15-16(21)20(17(22)24-15)13-8-14(11(18)7-12(13)19)23-10-5-3-4-6-10/h7-8,10H,3-6H2,1-2H3
InChIKey
JZPKLLLUDLHCEL-UHFFFAOYSA-N
Compound name
3-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

20339
Patents

353.083 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.09028 180.3
[M+Na]+ 376.07222 189.2
[M-H]- 352.07572 188.7
[M+NH4]+ 371.11682 195.3
[M+K]+ 392.04616 184.9
[M+H-H2O]+ 336.08026 173.4
[M+HCOO]- 398.08120 193.3
[M+CH3COO]- 412.09685 210.7
[M+Na-2H]- 374.05767 174.6
[M]+ 353.08245 181.4
[M]- 353.08355 181.4
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