CID 377745

Nsc659335

Structural Information

Molecular Formula
C16H13Cl2N
SMILES
C1=CC=C2C(=C1)C=CN2CCC3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C16H13Cl2N/c17-14-6-5-12(15(18)11-14)7-9-19-10-8-13-3-1-2-4-16(13)19/h1-6,8,10-11H,7,9H2
InChIKey
SGHOKGCGCKPHKH-UHFFFAOYSA-N
Compound name
1-[2-(2,4-dichlorophenyl)ethyl]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.0425 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.04978 164.3
[M+Na]+ 312.03172 176.4
[M-H]- 288.03522 170.1
[M+NH4]+ 307.07632 183.0
[M+K]+ 328.00566 168.0
[M+H-H2O]+ 272.03976 157.2
[M+HCOO]- 334.04070 178.6
[M+CH3COO]- 348.05635 176.9
[M+Na-2H]- 310.01717 168.6
[M]+ 289.04195 169.9
[M]- 289.04305 169.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.