CID 54253088

135911-95-4

Structural Information

Molecular Formula

C₁₀H₁₁Br

SMILES

C1[C@H]([C@@H]1C2=CC=CC=C2)CBr

InChI

InChI=1S/C10H11Br/c11-7-9-6-10(9)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2/t9-,10-/m0/s1

InChIKey

QYDBZVRKADDLFQ-UWVGGRQHSA-N

Compound name

[(1R,2R)-2-(bromomethyl)cyclopropyl]benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 210.00441 Da
Monoisotopic Mass: 3.4
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]+	211.01169	137.4
[M+Na]+	232.99363	150.5
[M-H]-	208.99713	147.6
[M+NH4]+	228.03823	155.6
[M+K]+	248.96757	139.4
[M+H-H2O]+	193.00167	137.1
[M+HCOO]-	255.00261	159.9
[M+CH3COO]-	269.01826	187.7
[M+Na-2H]-	230.97908	145.9
[M]+	210.00386	156.9
[M]-	210.00496	156.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe