CID 19044893

5-bromonaphthalen-1-amine

Structural Information

Molecular Formula
C10H8BrN
SMILES
C1=CC2=C(C=CC=C2Br)C(=C1)N
InChI
InChI=1S/C10H8BrN/c11-9-5-1-4-8-7(9)3-2-6-10(8)12/h1-6H,12H2
InChIKey
VNPCNUAYDOLBDR-UHFFFAOYSA-N
Compound name
5-bromonaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

205
Patents

220.98401 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.99129 138.9
[M+Na]+ 243.97323 151.1
[M-H]- 219.97673 146.0
[M+NH4]+ 239.01783 161.6
[M+K]+ 259.94717 139.2
[M+H-H2O]+ 203.98127 139.1
[M+HCOO]- 265.98221 160.8
[M+CH3COO]- 279.99786 154.5
[M+Na-2H]- 241.95868 148.3
[M]+ 220.98346 155.7
[M]- 220.98456 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