CID 67971

(trifluorovinyl)benzene

Structural Information

Molecular Formula

C₈H₅F₃

SMILES

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

InChI

InChI=1S/C8H5F3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H

InChIKey

SUTQSIHGGHVXFK-UHFFFAOYSA-N

Compound name

1,2,2-trifluoroethenylbenzene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 5358
Patents: 158.03433 Da
Monoisotopic Mass: 2.7
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]+	159.04161	126.4
[M+Na]+	181.02355	134.2
[M-H]-	157.02705	126.1
[M+NH4]+	176.06815	147.0
[M+K]+	196.99749	131.6
[M+H-H2O]+	141.03159	118.5
[M+HCOO]-	203.03253	146.3
[M+CH3COO]-	217.04818	176.9
[M+Na-2H]-	179.00900	131.0
[M]+	158.03378	120.3
[M]-	158.03488	120.3

Literature stripe

literature stripe

Patent stripe

patents stripe