CID 10419882

7-(trifluoromethyl)-1h-indole

Structural Information

Molecular Formula
C9H6F3N
SMILES
C1=CC2=C(C(=C1)C(F)(F)F)NC=C2
InChI
InChI=1S/C9H6F3N/c10-9(11,12)7-3-1-2-6-4-5-13-8(6)7/h1-5,13H
InChIKey
VRAYAPZSEPNOTI-UHFFFAOYSA-N
Compound name
7-(trifluoromethyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

144
Patents

185.04523 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.05251 137.5
[M+Na]+ 208.03445 147.8
[M+NH4]+ 203.07905 144.2
[M+K]+ 224.00839 143.5
[M-H]- 184.03795 134.5
[M+Na-2H]- 206.01990 142.4
[M]+ 185.04468 137.9
[M]- 185.04578 137.9
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