CID 472136

N-(2-chloro-6-fluorobenzyl)-2-(1h-indol-3-yl)ethanamine

Structural Information

Molecular Formula
C17H16ClFN2
SMILES
C1=CC=C2C(=C1)C(=CN2)CCNCC3=C(C=CC=C3Cl)F
InChI
InChI=1S/C17H16ClFN2/c18-15-5-3-6-16(19)14(15)11-20-9-8-12-10-21-17-7-2-1-4-13(12)17/h1-7,10,20-21H,8-9,11H2
InChIKey
PLFFNNHALWJMMN-UHFFFAOYSA-N
Compound name
N-[(2-chloro-6-fluorophenyl)methyl]-2-(1H-indol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.0986 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.10588 167.4
[M+Na]+ 325.08782 177.5
[M-H]- 301.09132 171.3
[M+NH4]+ 320.13242 184.2
[M+K]+ 341.06176 168.7
[M+H-H2O]+ 285.09586 159.0
[M+HCOO]- 347.09680 185.3
[M+CH3COO]- 361.11245 178.8
[M+Na-2H]- 323.07327 171.9
[M]+ 302.09805 169.0
[M]- 302.09915 169.0
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.