CID 9807

2-fluorobenzotrifluoride

Structural Information

Molecular Formula

C₇H₄F₄

SMILES

C1=CC=C(C(=C1)C(F)(F)F)F

InChI

InChI=1S/C7H4F4/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H

InChIKey

BGVGHYOIWIALFF-UHFFFAOYSA-N

Compound name

1-fluoro-2-(trifluoromethyl)benzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3838
Patents: 164.02492 Da
Monoisotopic Mass: 3.0
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]+	165.03220	139.4
[M+Na]+	187.01414	148.6
[M+NH4]+	182.05874	145.2
[M+K]+	202.98808	142.8
[M-H]-	163.01764	136.0
[M+Na-2H]-	184.99959	143.9
[M]+	164.02437	139.5
[M]-	164.02547	139.5

Literature stripe

literature stripe

Patent stripe

patents stripe