CID 44118257

2-(bromomethyl)chroman

Structural Information

Molecular Formula

C₁₀H₁₁BrO

SMILES

C1CC2=CC=CC=C2OC1CBr

InChI

InChI=1S/C10H11BrO/c11-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-4,9H,5-7H2

InChIKey

FQPRCEFOQRTXQL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 225.99933 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]+	227.006606	142.0
[M+Na]+	248.988548	152.4
[M-H]-	224.992054	149.3
[M+NH4]+	244.033153	163.6
[M+K]+	264.962488	143.0
[M+H-H2O]+	208.996590	142.6
[M+HCOO]-	270.997531	160.3
[M+CH3COO]-	285.013181	157.0
[M+Na-2H]-	246.973996	151.7
[M]+	225.99878142	159.3
[M]-	225.99987858	159.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe