CID 11023424

2,7-bis(bromomethyl)naphthalene

Structural Information

Molecular Formula

C₁₂H₁₀Br₂

SMILES

C1=CC(=CC2=C1C=CC(=C2)CBr)CBr

InChI

InChI=1S/C12H10Br2/c13-7-9-1-3-11-4-2-10(8-14)6-12(11)5-9/h1-6H,7-8H2

InChIKey

FJSRQBBGMVBGHK-UHFFFAOYSA-N

Compound name

2,7-bis(bromomethyl)naphthalene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 99
Patents: 311.91492 Da
Monoisotopic Mass: 4.7
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]+	312.92220	146.7
[M+Na]+	334.90414	157.7
[M-H]-	310.90764	154.2
[M+NH4]+	329.94874	166.5
[M+K]+	350.87808	142.3
[M+H-H2O]+	294.91218	155.4
[M+HCOO]-	356.91312	162.5
[M+CH3COO]-	370.92877	160.9
[M+Na-2H]-	332.88959	155.1
[M]+	311.91437	181.0
[M]-	311.91547	181.0

Literature stripe

literature stripe

Patent stripe

patents stripe