CID 10932124

2-(trifluoromethyl)-1h-indole

Structural Information

Molecular Formula
C9H6F3N
SMILES
C1=CC=C2C(=C1)C=C(N2)C(F)(F)F
InChI
InChI=1S/C9H6F3N/c10-9(11,12)8-5-6-3-1-2-4-7(6)13-8/h1-5,13H
InChIKey
QFHVHZJGQWMBTE-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

291
Patents

185.04523 Da
Monoisotopic Mass

3.0
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

literature stripe

Patent stripe

patents stripe