CID 10889478

771-14-2

Structural Information

Molecular Formula
C10H8BrN
SMILES
C1=CC=C2C(=C1)C=CC(=C2N)Br
InChI
InChI=1S/C10H8BrN/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6H,12H2
InChIKey
YEHNFUTUJAFCAW-UHFFFAOYSA-N
Compound name
2-bromonaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

159
Patents

220.98401 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.991286 138.9
[M+Na]+ 243.973228 151.1
[M-H]- 219.976734 146.0
[M+NH4]+ 239.017833 161.6
[M+K]+ 259.947168 139.2
[M+H-H2O]+ 203.981270 139.1
[M+HCOO]- 265.982211 160.8
[M+CH3COO]- 279.997861 154.5
[M+Na-2H]- 241.958676 148.3
[M]+ 220.98346142 155.7
[M]- 220.98455858 155.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe