CID 4343490

302912-35-2

Structural Information

Molecular Formula

C₁₁H₁₀ClN

SMILES

C1CC2=C(C1)NC3=C2C=C(C=C3)Cl

InChI

InChI=1S/C11H10ClN/c12-7-4-5-11-9(6-7)8-2-1-3-10(8)13-11/h4-6,13H,1-3H2

InChIKey

HKLFFMNEWYOFPM-UHFFFAOYSA-N

Compound name

7-chloro-1,2,3,4-tetrahydrocyclopenta[b]indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 15
Patents: 191.05017 Da
Monoisotopic Mass: 3.4
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]+	192.05745	140.2
[M+Na]+	214.03939	151.8
[M-H]-	190.04289	143.6
[M+NH4]+	209.08399	164.7
[M+K]+	230.01333	145.4
[M+H-H2O]+	174.04743	135.3
[M+HCOO]-	236.04837	157.9
[M+CH3COO]-	250.06402	154.2
[M+Na-2H]-	212.02484	145.3
[M]+	191.04962	141.4
[M]-	191.05072	141.4

Literature stripe

literature stripe

Patent stripe

patents stripe