CID 57372338

1211594-34-1

Structural Information

Molecular Formula

C₁₀H₁₁Br

SMILES

CC1(CC1)C2=CC=CC=C2Br

InChI

InChI=1S/C10H11Br/c1-10(6-7-10)8-4-2-3-5-9(8)11/h2-5H,6-7H2,1H3

InChIKey

TZZUFAJKCFSOMD-UHFFFAOYSA-N

Compound name

1-bromo-2-(1-methylcyclopropyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 210.00441 Da
Monoisotopic Mass: 4.1
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	137.0
[M+Na]+	232.99363	150.7
[M-H]-	208.99713	147.6
[M+NH4]+	228.03823	157.0
[M+K]+	248.96757	140.5
[M+H-H2O]+	193.00167	137.8
[M+HCOO]-	255.00261	159.2
[M+CH3COO]-	269.01826	187.3
[M+Na-2H]-	230.97908	146.4
[M]+	210.00386	157.0
[M]-	210.00496	157.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe