CID 69954911

Indoles

Structural Information

Molecular Formula
C16H12F3N
SMILES
C1=CC=C2C(=C1)C=C(N2)CC3=CC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C16H12F3N/c17-16(18,19)13-7-5-11(6-8-13)9-14-10-12-3-1-2-4-15(12)20-14/h1-8,10,20H,9H2
InChIKey
SJGQTBVINYFPTP-UHFFFAOYSA-N
Compound name
2-[[4-(trifluoromethyl)phenyl]methyl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

63673
References

7
Patents

275.0922 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.09948 159.0
[M+Na]+ 298.08142 169.4
[M-H]- 274.08492 160.8
[M+NH4]+ 293.12602 176.2
[M+K]+ 314.05536 162.1
[M+H-H2O]+ 258.08946 149.3
[M+HCOO]- 320.09040 177.2
[M+CH3COO]- 334.10605 170.6
[M+Na-2H]- 296.06687 164.3
[M]+ 275.09165 155.5
[M]- 275.09275 155.5
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