CID 22240247

7-bromonaphthalen-1-amine

Structural Information

Molecular Formula
C10H8BrN
SMILES
C1=CC2=C(C=C(C=C2)Br)C(=C1)N
InChI
InChI=1S/C10H8BrN/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h1-6H,12H2
InChIKey
MOCBIPDSFWDYOJ-UHFFFAOYSA-N
Compound name
7-bromonaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

220.98401 Da
Monoisotopic Mass

3.3
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

No literature data available for this compound.

Patent stripe

patents stripe