CID 139598211

Rpa 205834

Structural Information

Molecular Formula

C₁₅H₁₄F₃NO₄S

SMILES

CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=C(C=N)C(=O)C2CC2)O

InChI

InChI=1S/C15H14F3NO4S/c1-24(22,23)12-6-9(15(16,17)18)4-5-10(12)14(21)11(7-19)13(20)8-2-3-8/h4-8,19,21H,2-3H2,1H3

InChIKey

COIALHJFXGEHAC-UHFFFAOYSA-N

Compound name

1-cyclopropyl-3-hydroxy-2-methanimidoyl-3-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]prop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 0
Patents: 361.05957 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

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]+	362.066846	163.2
[M+Na]+	384.048788	170.4
[M-H]-	360.052294	165.0
[M+NH4]+	379.093393	170.2
[M+K]+	400.022728	164.3
[M+H-H2O]+	344.056830	154.6
[M+HCOO]-	406.057771	173.2
[M+CH3COO]-	420.073421	212.6
[M+Na-2H]-	382.034236	163.0
[M]+	361.05902142	162.8
[M]-	361.06011858	162.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.