CID 2778198

2-(trifluoromethyl)styrene

Structural Information

Molecular Formula

C₉H₇F₃

SMILES

C=CC1=CC=CC=C1C(F)(F)F

InChI

InChI=1S/C9H7F3/c1-2-7-5-3-4-6-8(7)9(10,11)12/h2-6H,1H2

InChIKey

VGWWQZSCLBZOGK-UHFFFAOYSA-N

Compound name

1-ethenyl-2-(trifluoromethyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2969
Patents: 172.04999 Da
Monoisotopic Mass: 3.6
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]+	173.05727	140.1
[M+Na]+	195.03921	150.5
[M+NH4]+	190.08381	146.7
[M+K]+	211.01315	144.0
[M-H]-	171.04271	137.9
[M+Na-2H]-	193.02466	145.3
[M]+	172.04944	140.8
[M]-	172.05054	140.8

Literature stripe

literature stripe

Patent stripe

patents stripe