CID 1581062

306279-75-4

Structural Information

Molecular Formula

C₁₅H₁₀ClNO₂

SMILES

C1=CC=C(C(=C1)CN2C3=CC=CC=C3C(=O)C2=O)Cl

InChI

InChI=1S/C15H10ClNO2/c16-12-7-3-1-5-10(12)9-17-13-8-4-2-6-11(13)14(18)15(17)19/h1-8H,9H2

InChIKey

GXOAQYBGXKBALO-UHFFFAOYSA-N

Compound name

1-[(2-chlorophenyl)methyl]indole-2,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 22
Patents: 271.04 Da
Monoisotopic Mass: 3.0
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]+	272.04728	158.9
[M+Na]+	294.02922	170.4
[M-H]-	270.03272	165.8
[M+NH4]+	289.07382	177.9
[M+K]+	310.00316	163.9
[M+H-H2O]+	254.03726	152.0
[M+HCOO]-	316.03820	176.9
[M+CH3COO]-	330.05385	172.1
[M+Na-2H]-	292.01467	162.3
[M]+	271.03945	162.1
[M]-	271.04055	162.1

Literature stripe

literature stripe

Patent stripe

patents stripe