CID 72209898

886366-19-4

Structural Information

Molecular Formula

C₁₀H₁₁BrO

SMILES

C1CC1(CO)C2=CC=CC=C2Br

InChI

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

InChIKey

NTJQASZJHHURQW-UHFFFAOYSA-N

Compound name

[1-(2-bromophenyl)cyclopropyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 225.99933 Da
Monoisotopic Mass: 2.5
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	135.7
[M+Na]+	248.98855	141.3
[M+NH4]+	244.03315	143.3
[M+K]+	264.96249	140.4
[M-H]-	224.99205	143.8
[M+Na-2H]-	246.97400	144.5
[M]+	225.99878	138.9
[M]-	225.99988	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.