CID 4420470

1-(2-bromo-2,3-dihydro-1h-inden-1-yl)pyridinium bromide

Structural Information

Molecular Formula
C14H13BrN
SMILES
C1C(C(C2=CC=CC=C21)[N+]3=CC=CC=C3)Br
InChI
InChI=1S/C14H13BrN/c15-13-10-11-6-2-3-7-12(11)14(13)16-8-4-1-5-9-16/h1-9,13-14H,10H2/q+1
InChIKey
JZDAMAUODQVDFE-UHFFFAOYSA-N
Compound name
1-(2-bromo-2,3-dihydro-1H-inden-1-yl)pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.02313 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.03041 160.7
[M+Na]+ 297.01235 172.3
[M-H]- 273.01585 169.9
[M+NH4]+ 292.05695 181.9
[M+K]+ 312.98629 155.4
[M+H-H2O]+ 257.02039 162.6
[M+HCOO]- 319.02133 180.4
[M+CH3COO]- 333.03698 188.5
[M+Na-2H]- 294.99780 169.0
[M]+ 274.02258 177.2
[M]- 274.02368 177.2
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

No patent data available for this compound.