CID 20487088

3,4-difluorostyrene

Structural Information

Molecular Formula

C₈H₆F₂

SMILES

C=CC1=CC(=C(C=C1)F)F

InChI

InChI=1S/C8H6F2/c1-2-6-3-4-7(9)8(10)5-6/h2-5H,1H2

InChIKey

VPKZWIGZODEBDP-UHFFFAOYSA-N

Compound name

4-ethenyl-1,2-difluorobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 254
Patents: 140.04376 Da
Monoisotopic Mass: 2.9
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]+	141.05104	121.3
[M+Na]+	163.03298	131.4
[M-H]-	139.03648	123.0
[M+NH4]+	158.07758	143.4
[M+K]+	179.00692	128.5
[M+H-H2O]+	123.04102	114.8
[M+HCOO]-	185.04196	144.3
[M+CH3COO]-	199.05761	175.2
[M+Na-2H]-	161.01843	127.8
[M]+	140.04321	118.6
[M]-	140.04431	118.6

Literature stripe

literature stripe

Patent stripe

patents stripe