CID 123867362

Mepfpdfv

Structural Information

Molecular Formula

C₁₅H₁₁F₃

SMILES

CC1=CC=C(C=C1)C(=C(C2=CC=C(C=C2)F)F)F

InChI

InChI=1S/C15H11F3/c1-10-2-4-11(5-3-10)14(17)15(18)12-6-8-13(16)9-7-12/h2-9H,1H3

InChIKey

SJFREYOQBGYNTN-UHFFFAOYSA-N

Compound name

1-[1,2-difluoro-2-(4-fluorophenyl)ethenyl]-4-methylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 248.08128 Da
Monoisotopic Mass: 4.4
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]+	249.08856	151.7
[M+Na]+	271.07050	159.8
[M-H]-	247.07400	154.6
[M+NH4]+	266.11510	168.8
[M+K]+	287.04444	154.6
[M+H-H2O]+	231.07854	142.0
[M+HCOO]-	293.07948	170.7
[M+CH3COO]-	307.09513	195.8
[M+Na-2H]-	269.05595	153.6
[M]+	248.08073	146.5
[M]-	248.08183	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe