CID 58398957

6-chloro-3,3-dimethylindolin-2-one

Structural Information

Molecular Formula

C₁₀H₁₀ClNO

SMILES

CC1(C2=C(C=C(C=C2)Cl)NC1=O)C

InChI

InChI=1S/C10H10ClNO/c1-10(2)7-4-3-6(11)5-8(7)12-9(10)13/h3-5H,1-2H3,(H,12,13)

InChIKey

DOVDLTAYFCBHAN-UHFFFAOYSA-N

Compound name

6-chloro-3,3-dimethyl-1H-indol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 195.04509 Da
Monoisotopic Mass: 2.3
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]+	196.05237	138.1
[M+Na]+	218.03431	151.8
[M+NH4]+	213.07891	148.8
[M+K]+	234.00825	144.5
[M-H]-	194.03781	139.6
[M+Na-2H]-	216.01976	144.7
[M]+	195.04454	140.9
[M]-	195.04564	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe