CID 119031477

1-(bromomethyl)-2-cyclopropoxybenzene

Structural Information

Molecular Formula

C₁₀H₁₁BrO

SMILES

C1CC1OC2=CC=CC=C2CBr

InChI

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

InChIKey

RLNNGMQFUWTTDL-UHFFFAOYSA-N

Compound name

1-(bromomethyl)-2-cyclopropyloxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 225.99933 Da
Monoisotopic Mass: 3.0
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]+	227.00661	141.1
[M+Na]+	248.98855	154.1
[M-H]-	224.99205	151.2
[M+NH4]+	244.03315	158.6
[M+K]+	264.96249	143.3
[M+H-H2O]+	208.99659	140.6
[M+HCOO]-	270.99753	163.7
[M+CH3COO]-	285.01318	189.4
[M+Na-2H]-	246.97400	149.4
[M]+	225.99878	161.9
[M]-	225.99988	161.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe