CID 136234

Mesityl fluoride

Structural Information

Molecular Formula

C₉H₁₁F

SMILES

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

InChI

InChI=1S/C9H11F/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,1-3H3

InChIKey

ZLGPNBBJPOBSLY-UHFFFAOYSA-N

Compound name

2-fluoro-1,3,5-trimethylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 178
Patents: 138.08447 Da
Monoisotopic Mass: 3.1
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]+	139.091746	123.6
[M+Na]+	161.073688	134.0
[M-H]-	137.077194	127.1
[M+NH4]+	156.118293	146.5
[M+K]+	177.047628	132.0
[M+H-H2O]+	121.081730	118.2
[M+HCOO]-	183.082671	147.3
[M+CH3COO]-	197.098321	177.6
[M+Na-2H]-	159.059136	129.6
[M]+	138.08392142	123.6
[M]-	138.08501858	123.6

Literature stripe

literature stripe

Patent stripe

patents stripe