CID 141525844

344462-76-6

Structural Information

Molecular Formula

C₁₁H₁₃BrO

SMILES

C1C[C@H]([C@@H](C1)O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C11H13BrO/c12-9-6-4-8(5-7-9)10-2-1-3-11(10)13/h4-7,10-11,13H,1-3H2/t10-,11+/m0/s1

InChIKey

ONGMKAURCOGHPU-WDEREUQCSA-N

Compound name

(1R,2S)-2-(4-bromophenyl)cyclopentan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 240.01498 Da
Monoisotopic Mass: 2.9
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]+	241.02226	149.6
[M+Na]+	263.00420	160.0
[M-H]-	239.00770	157.5
[M+NH4]+	258.04880	172.0
[M+K]+	278.97814	148.6
[M+H-H2O]+	223.01224	150.1
[M+HCOO]-	285.01318	169.2
[M+CH3COO]-	299.02883	185.6
[M+Na-2H]-	260.98965	153.7
[M]+	240.01443	164.7
[M]-	240.01553	164.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe