CID 14957596

3-(trifluoromethyl)-1h-indene

Structural Information

Molecular Formula

C₁₀H₇F₃

SMILES

C1C=C(C2=CC=CC=C21)C(F)(F)F

InChI

InChI=1S/C10H7F3/c11-10(12,13)9-6-5-7-3-1-2-4-8(7)9/h1-4,6H,5H2

InChIKey

PCPRMODISMAALW-UHFFFAOYSA-N

Compound name

3-(trifluoromethyl)-1H-indene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 184.04999 Da
Monoisotopic Mass: 3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	185.05727	133.3
[M+Na]+	207.03921	143.4
[M-H]-	183.04271	134.5
[M+NH4]+	202.08381	156.4
[M+K]+	223.01315	139.7
[M+H-H2O]+	167.04725	126.1
[M+HCOO]-	229.04819	153.5
[M+CH3COO]-	243.06384	180.9
[M+Na-2H]-	205.02466	139.9
[M]+	184.04944	129.6
[M]-	184.05054	129.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.