CID 23176621

1-(3-bromophenyl)cyclopropanemethanol

Structural Information

Molecular Formula

C₁₀H₁₁BrO

SMILES

C1CC1(CO)C2=CC(=CC=C2)Br

InChI

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

InChIKey

CDIOPADYQGYOTP-UHFFFAOYSA-N

Compound name

[1-(3-bromophenyl)cyclopropyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
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	140.3
[M+Na]+	248.98855	153.5
[M-H]-	224.99205	149.5
[M+NH4]+	244.03315	158.9
[M+K]+	264.96249	142.6
[M+H-H2O]+	208.99659	141.2
[M+HCOO]-	270.99753	161.2
[M+CH3COO]-	285.01318	186.6
[M+Na-2H]-	246.97400	149.2
[M]+	225.99878	160.0
[M]-	225.99988	160.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe