CID 131886934

5,7-difluoro-2-(4-fluorophenyl)-1h-indole

Structural Information

Molecular Formula
C14H8F3N
SMILES
C1=CC(=CC=C1C2=CC3=CC(=CC(=C3N2)F)F)F
InChI
InChI=1S/C14H8F3N/c15-10-3-1-8(2-4-10)13-6-9-5-11(16)7-12(17)14(9)18-13/h1-7,18H
InChIKey
HYMAELHWXZVYTK-UHFFFAOYSA-N
Compound name
5,7-difluoro-2-(4-fluorophenyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

247.06088 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.06816 148.3
[M+Na]+ 270.05010 161.0
[M-H]- 246.05360 150.9
[M+NH4]+ 265.09470 167.1
[M+K]+ 286.02404 153.7
[M+H-H2O]+ 230.05814 138.9
[M+HCOO]- 292.05908 168.8
[M+CH3COO]- 306.07473 161.4
[M+Na-2H]- 268.03555 152.6
[M]+ 247.06033 145.6
[M]- 247.06143 145.6
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

patents stripe