CID 335703

88368-11-0

Structural Information

Molecular Formula

C₁₂H₁₀ClNO

SMILES

C1CC2=C(C(=O)C1)C3=C(N2)C=CC(=C3)Cl

InChI

InChI=1S/C12H10ClNO/c13-7-4-5-9-8(6-7)12-10(14-9)2-1-3-11(12)15/h4-6,14H,1-3H2

InChIKey

XKQOLLAZVXJGMV-UHFFFAOYSA-N

Compound name

6-chloro-1,2,3,9-tetrahydrocarbazol-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 219.04509 Da
Monoisotopic Mass: 2.8
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]+	220.05237	144.6
[M+Na]+	242.03431	156.0
[M-H]-	218.03781	147.8
[M+NH4]+	237.07891	166.3
[M+K]+	258.00825	149.2
[M+H-H2O]+	202.04235	139.3
[M+HCOO]-	264.04329	160.2
[M+CH3COO]-	278.05894	157.9
[M+Na-2H]-	240.01976	150.5
[M]+	219.04454	145.1
[M]-	219.04564	145.1

Literature stripe

literature stripe

Patent stripe

patents stripe