CID 58398957

1319743-56-0

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: 18
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]+	196.052366	138.6
[M+Na]+	218.034308	150.4
[M-H]-	194.037814	141.3
[M+NH4]+	213.078913	162.5
[M+K]+	234.008248	144.9
[M+H-H2O]+	178.042350	134.5
[M+HCOO]-	240.043291	155.1
[M+CH3COO]-	254.058941	180.0
[M+Na-2H]-	216.019756	144.0
[M]+	195.04454142	139.7
[M]-	195.04563858	139.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe