CID 141120

N-(6-bromohexyl)phthalimide

Structural Information

Molecular Formula

C₁₄H₁₆BrNO₂

SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCCBr

InChI

InChI=1S/C14H16BrNO2/c15-9-5-1-2-6-10-16-13(17)11-7-3-4-8-12(11)14(16)18/h3-4,7-8H,1-2,5-6,9-10H2

InChIKey

OAZFTIPKNPTDIO-UHFFFAOYSA-N

Compound name

2-(6-bromohexyl)isoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 626
Patents: 309.03644 Da
Monoisotopic Mass: 3.7
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]+	310.04372	165.0
[M+Na]+	332.02566	176.8
[M-H]-	308.02916	170.6
[M+NH4]+	327.07026	185.4
[M+K]+	347.99960	164.6
[M+H-H2O]+	292.03370	164.5
[M+HCOO]-	354.03464	184.2
[M+CH3COO]-	368.05029	201.7
[M+Na-2H]-	330.01111	168.9
[M]+	309.03589	186.2
[M]-	309.03699	186.2

Literature stripe

literature stripe

Patent stripe

patents stripe