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

150
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 132.1
[M+Na]+ 208.03445 143.3
[M-H]- 184.03795 131.0
[M+NH4]+ 203.07905 153.2
[M+K]+ 224.00839 138.5
[M+H-H2O]+ 168.04249 124.3
[M+HCOO]- 230.04343 151.3
[M+CH3COO]- 244.05908 177.6
[M+Na-2H]- 206.01990 139.7
[M]+ 185.04468 128.2
[M]- 185.04578 128.2
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