CID 17999126

1-(4-bromonaphthalen-1-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C11H10BrN
SMILES
C1=CC=C2C(=C1)C(=CC=C2Br)CN
InChI
InChI=1S/C11H10BrN/c12-11-6-5-8(7-13)9-3-1-2-4-10(9)11/h1-6H,7,13H2
InChIKey
PMFKFFYEQAYJDO-UHFFFAOYSA-N
Compound name
(4-bromonaphthalen-1-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

234.99966 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.006936 143.6
[M+Na]+ 257.988878 155.4
[M-H]- 233.992384 150.5
[M+NH4]+ 253.033483 165.8
[M+K]+ 273.962818 143.2
[M+H-H2O]+ 217.996920 143.5
[M+HCOO]- 279.997861 165.2
[M+CH3COO]- 294.013511 158.7
[M+Na-2H]- 255.974326 152.5
[M]+ 234.99911142 160.7
[M]- 235.00020858 160.7
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