CID 69246193

2503202-66-0

Structural Information

Molecular Formula

C₁₀H₁₀BrFO

SMILES

C1CC2=C(C=CC(=C2)F)OC1CBr

InChI

InChI=1S/C10H10BrFO/c11-6-9-3-1-7-5-8(12)2-4-10(7)13-9/h2,4-5,9H,1,3,6H2

InChIKey

UYDKCUSMTFGMGZ-UHFFFAOYSA-N

Compound name

2-(bromomethyl)-6-fluoro-3,4-dihydro-2H-chromene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 243.98991 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]+	244.99719	146.1
[M+Na]+	266.97913	157.4
[M-H]-	242.98263	152.4
[M+NH4]+	262.02373	167.2
[M+K]+	282.95307	147.5
[M+H-H2O]+	226.98717	145.8
[M+HCOO]-	288.98811	163.3
[M+CH3COO]-	303.00376	189.4
[M+Na-2H]-	264.96458	154.4
[M]+	243.98936	162.7
[M]-	243.99046	162.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe