CID 154584834

B4rz5y4tjo

Structural Information

Molecular Formula

C₁₅H₁₁ClFNO₂

SMILES

CC1=CC2=C(C=C1)N(C(=O)C2)C3=C(C=C(C=C3Cl)O)F

InChI

InChI=1S/C15H11ClFNO2/c1-8-2-3-13-9(4-8)5-14(20)18(13)15-11(16)6-10(19)7-12(15)17/h2-4,6-7,19H,5H2,1H3

InChIKey

RVWXBXJNQUDTIJ-UHFFFAOYSA-N

Compound name

1-(2-chloro-6-fluoro-4-hydroxyphenyl)-5-methyl-3H-indol-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 291.04623 Da
Monoisotopic Mass: 3.2
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]+	292.053506	162.3
[M+Na]+	314.035448	174.9
[M-H]-	290.038954	167.2
[M+NH4]+	309.080053	180.5
[M+K]+	330.009388	167.9
[M+H-H2O]+	274.043490	155.4
[M+HCOO]-	336.044431	177.6
[M+CH3COO]-	350.060081	175.0
[M+Na-2H]-	312.020896	163.4
[M]+	291.04568142	164.3
[M]-	291.04677858	164.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.