CID 79880316

2567503-80-2

Structural Information

Molecular Formula

C₁₀H₁₀BrN

SMILES

C1C(=CC2=CC=C(C=C2)Br)CN1

InChI

InChI=1S/C10H10BrN/c11-10-3-1-8(2-4-10)5-9-6-12-7-9/h1-5,12H,6-7H2

InChIKey

AXCXKLYWCHOJAC-UHFFFAOYSA-N

Compound name

3-[(4-bromophenyl)methylidene]azetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 222.99966 Da
Monoisotopic Mass: 1.8
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]+	224.00694	138.4
[M+Na]+	245.98888	138.7
[M+NH4]+	241.03348	140.4
[M+K]+	261.96282	139.3
[M-H]-	221.99238	137.6
[M+Na-2H]-	243.97433	141.1
[M]+	222.99911	136.1
[M]-	223.00021	136.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe