CID 472117

[(2-chloro-6-fluorophenyl)methyl](indol-3-ylmethyl)amine

Structural Information

Molecular Formula
C16H14ClFN2
SMILES
C1=CC=C2C(=C1)C(=CN2)CNCC3=C(C=CC=C3Cl)F
InChI
InChI=1S/C16H14ClFN2/c17-14-5-3-6-15(18)13(14)10-19-8-11-9-20-16-7-2-1-4-12(11)16/h1-7,9,19-20H,8,10H2
InChIKey
IXAIUIUJUAGWHJ-UHFFFAOYSA-N
Compound name
N-[(2-chloro-6-fluorophenyl)methyl]-1-(1H-indol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.08295 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.09023 162.8
[M+Na]+ 311.07217 173.4
[M-H]- 287.07567 166.9
[M+NH4]+ 306.11677 180.2
[M+K]+ 327.04611 164.8
[M+H-H2O]+ 271.08021 154.6
[M+HCOO]- 333.08115 181.1
[M+CH3COO]- 347.09680 174.7
[M+Na-2H]- 309.05762 167.9
[M]+ 288.08240 164.0
[M]- 288.08350 164.0
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.