CID 220463

2-(4-chlorophenyl)-1h-indole

Structural Information

Molecular Formula
C14H10ClN
SMILES
C1=CC=C2C(=C1)C=C(N2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C14H10ClN/c15-12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)16-14/h1-9,16H
InChIKey
KDNXKQSAAZNUCK-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

193
Patents

227.05017 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.05745 147.4
[M+Na]+ 250.03939 158.9
[M-H]- 226.04289 153.0
[M+NH4]+ 245.08399 167.5
[M+K]+ 266.01333 151.3
[M+H-H2O]+ 210.04743 140.9
[M+HCOO]- 272.04837 166.4
[M+CH3COO]- 286.06402 161.0
[M+Na-2H]- 248.02484 154.4
[M]+ 227.04962 149.2
[M]- 227.05072 149.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe