CID 23454863

2-(bromomethyl)-1-nitronaphthalene

Structural Information

Molecular Formula

C₁₁H₈BrNO₂

SMILES

C1=CC=C2C(=C1)C=CC(=C2[N+](=O)[O-])CBr

InChI

InChI=1S/C11H8BrNO2/c12-7-9-6-5-8-3-1-2-4-10(8)11(9)13(14)15/h1-6H,7H2

InChIKey

OGNHBZHFEWBUQV-UHFFFAOYSA-N

Compound name

2-(bromomethyl)-1-nitronaphthalene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 264.97385 Da
Monoisotopic Mass: 3.6
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]+	265.98113	150.5
[M+Na]+	287.96307	161.6
[M-H]-	263.96657	157.8
[M+NH4]+	283.00767	171.1
[M+K]+	303.93701	146.6
[M+H-H2O]+	247.97111	154.4
[M+HCOO]-	309.97205	172.7
[M+CH3COO]-	323.98770	188.7
[M+Na-2H]-	285.94852	160.5
[M]+	264.97330	168.9
[M]-	264.97440	168.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe