CID 104716

54288-95-8

Structural Information

Molecular Formula

C₁₀H₇Br₂N

SMILES

C1=CC=C2C(=C1)C=C(C(=C2Br)N)Br

InChI

InChI=1S/C10H7Br2N/c11-8-5-6-3-1-2-4-7(6)9(12)10(8)13/h1-5H,13H2

InChIKey

QXQLGCVWRCXDKS-UHFFFAOYSA-N

Compound name

1,3-dibromonaphthalen-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 298.89453 Da
Monoisotopic Mass: 3.9
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]+	299.90181	143.1
[M+Na]+	321.88375	154.5
[M-H]-	297.88725	150.4
[M+NH4]+	316.92835	162.8
[M+K]+	337.85769	138.4
[M+H-H2O]+	281.89179	150.9
[M+HCOO]-	343.89273	159.4
[M+CH3COO]-	357.90838	157.3
[M+Na-2H]-	319.86920	151.0
[M]+	298.89398	175.7
[M]-	298.89508	175.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe