CID 2763075

5-(trifluoromethyl)-1h-indole

Structural Information

Molecular Formula
C9H6F3N
SMILES
C1=CC2=C(C=CN2)C=C1C(F)(F)F
InChI
InChI=1S/C9H6F3N/c10-9(11,12)7-1-2-8-6(5-7)3-4-13-8/h1-5,13H
InChIKey
LCFDJWUYKUPBJM-UHFFFAOYSA-N
Compound name
5-(trifluoromethyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

526
Patents

185.04523 Da
Monoisotopic Mass

3.2
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

literature stripe

Patent stripe

patents stripe