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

165
Patents

185.04523 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.052506 132.1
[M+Na]+ 208.034448 143.3
[M-H]- 184.037954 131.0
[M+NH4]+ 203.079053 153.2
[M+K]+ 224.008388 138.5
[M+H-H2O]+ 168.042490 124.3
[M+HCOO]- 230.043431 151.3
[M+CH3COO]- 244.059081 177.6
[M+Na-2H]- 206.019896 139.7
[M]+ 185.04468142 128.2
[M]- 185.04577858 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