CID 45139409

5-fluoro-3,3-dimethylindolin-2-one

Structural Information

Molecular Formula

C₁₀H₁₀FNO

SMILES

CC1(C2=C(C=CC(=C2)F)NC1=O)C

InChI

InChI=1S/C10H10FNO/c1-10(2)7-5-6(11)3-4-8(7)12-9(10)13/h3-5H,1-2H3,(H,12,13)

InChIKey

ODQPSSNQVNVDRZ-UHFFFAOYSA-N

Compound name

5-fluoro-3,3-dimethyl-1H-indol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 68
Patents: 179.07465 Da
Monoisotopic Mass: 1.8
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]+	180.08193	134.5
[M+Na]+	202.06387	145.6
[M-H]-	178.06737	136.0
[M+NH4]+	197.10847	158.2
[M+K]+	218.03781	141.6
[M+H-H2O]+	162.07191	128.9
[M+HCOO]-	224.07285	154.6
[M+CH3COO]-	238.08850	178.9
[M+Na-2H]-	200.04932	139.9
[M]+	179.07410	132.7
[M]-	179.07520	132.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe