CID 3795475

735322-70-0

Structural Information

Molecular Formula
C16H15ClN2
SMILES
C1=CC=C2C(=C1)C(=CN2)C(CN)C3=CC=CC=C3Cl
InChI
InChI=1S/C16H15ClN2/c17-15-7-3-1-5-11(15)13(9-18)14-10-19-16-8-4-2-6-12(14)16/h1-8,10,13,19H,9,18H2
InChIKey
DWOFRWCQQMUIRA-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

270.09238 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.09966 161.1
[M+Na]+ 293.08160 170.3
[M-H]- 269.08510 165.8
[M+NH4]+ 288.12620 178.6
[M+K]+ 309.05554 162.4
[M+H-H2O]+ 253.08964 154.0
[M+HCOO]- 315.09058 178.8
[M+CH3COO]- 329.10623 172.8
[M+Na-2H]- 291.06705 165.3
[M]+ 270.09183 161.3
[M]- 270.09293 161.3
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

No patent data available for this compound.