CID 84706806

8-bromo-4,4-difluorochromane

Structural Information

Molecular Formula

C₉H₇BrF₂O

SMILES

C1COC2=C(C1(F)F)C=CC=C2Br

InChI

InChI=1S/C9H7BrF2O/c10-7-3-1-2-6-8(7)13-5-4-9(6,11)12/h1-3H,4-5H2

InChIKey

BKZCKCUDUJPZBR-UHFFFAOYSA-N

Compound name

8-bromo-4,4-difluoro-2,3-dihydrochromene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 247.96483 Da
Monoisotopic Mass: 3.2
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]+	248.97211	144.2
[M+Na]+	270.95405	156.8
[M-H]-	246.95755	149.8
[M+NH4]+	265.99865	167.0
[M+K]+	286.92799	146.9
[M+H-H2O]+	230.96209	143.8
[M+HCOO]-	292.96303	160.8
[M+CH3COO]-	306.97868	159.1
[M+Na-2H]-	268.93950	153.4
[M]+	247.96428	159.8
[M]-	247.96538	159.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe