CID 123566

(4-bromophenyl)(cyclopropyl)methanol

Structural Information

Molecular Formula

C₁₀H₁₁BrO

SMILES

C1CC1C(C2=CC=C(C=C2)Br)O

InChI

InChI=1S/C10H11BrO/c11-9-5-3-8(4-6-9)10(12)7-1-2-7/h3-7,10,12H,1-2H2

InChIKey

PLVQKMYLBFYJHT-UHFFFAOYSA-N

Compound name

(4-bromophenyl)-cyclopropylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 25
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	132.9
[M+Na]+	248.98855	138.1
[M+NH4]+	244.03315	139.2
[M+K]+	264.96249	139.3
[M-H]-	224.99205	140.6
[M+Na-2H]-	246.97400	140.3
[M]+	225.99878	135.7
[M]-	225.99988	135.7

Literature stripe

literature stripe

Patent stripe

patents stripe