CID 472121

Chembl4167424

Structural Information

Molecular Formula
C16H14F2N2
SMILES
C1=CC=C2C(=C1)C(=CN2)CNCC3=C(C(=CC=C3)F)F
InChI
InChI=1S/C16H14F2N2/c17-14-6-3-4-11(16(14)18)8-19-9-12-10-20-15-7-2-1-5-13(12)15/h1-7,10,19-20H,8-9H2
InChIKey
BHAMNWNEIYQQBY-UHFFFAOYSA-N
Compound name
1-(2,3-difluorophenyl)-N-(1H-indol-3-ylmethyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

272.11252 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.11980 157.9
[M+Na]+ 295.10174 167.7
[M-H]- 271.10524 161.0
[M+NH4]+ 290.14634 175.0
[M+K]+ 311.07568 160.4
[M+H-H2O]+ 255.10978 148.4
[M+HCOO]- 317.11072 179.8
[M+CH3COO]- 331.12637 169.7
[M+Na-2H]- 293.08719 163.0
[M]+ 272.11197 155.9
[M]- 272.11307 155.9
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.