CID 15165442

3-bromonaphthalen-1-amine hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

220.98401 Da
Monoisotopic Mass

2.7
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

No literature data available for this compound.

Patent stripe

patents stripe