CID 97027

3-bromonaphthalen-2-amine

Structural Information

Molecular Formula
C10H8BrN
SMILES
C1=CC=C2C=C(C(=CC2=C1)N)Br
InChI
InChI=1S/C10H8BrN/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6H,12H2
InChIKey
XMDCYZRDFRTBQH-UHFFFAOYSA-N
Compound name
3-bromonaphthalen-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

220.98401 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.99129 136.7
[M+Na]+ 243.97323 141.9
[M+NH4]+ 239.01783 143.4
[M+K]+ 259.94717 140.4
[M-H]- 219.97673 139.6
[M+Na-2H]- 241.95868 142.1
[M]+ 220.98346 137.2
[M]- 220.98456 137.2
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