CID 132263367

Schembl19751042

Structural Information

Molecular Formula

C₁₀H₁₀ClNO

SMILES

CCC1=C(C=C2C(=C1)CC(=O)N2)Cl

InChI

InChI=1S/C10H10ClNO/c1-2-6-3-7-4-10(13)12-9(7)5-8(6)11/h3,5H,2,4H2,1H3,(H,12,13)

InChIKey

LRZAPTDENMVNNW-UHFFFAOYSA-N

Compound name

6-chloro-5-ethyl-1,3-dihydroindol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 195.04509 Da
Monoisotopic Mass: 2.2
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]+	196.05237	140.1
[M+Na]+	218.03431	150.9
[M-H]-	194.03781	142.3
[M+NH4]+	213.07891	161.9
[M+K]+	234.00825	145.3
[M+H-H2O]+	178.04235	135.3
[M+HCOO]-	240.04329	156.5
[M+CH3COO]-	254.05894	180.5
[M+Na-2H]-	216.01976	144.3
[M]+	195.04454	140.9
[M]-	195.04564	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe