CID 15099231

1-(3-bromo-1-propynyl)naphthalene

Structural Information

Molecular Formula
C13H9Br
SMILES
C1=CC=C2C(=C1)C=CC=C2C#CCBr
InChI
InChI=1S/C13H9Br/c14-10-4-8-12-7-3-6-11-5-1-2-9-13(11)12/h1-3,5-7,9H,10H2
InChIKey
LHDMQJTYLOVTPS-UHFFFAOYSA-N
Compound name
1-(3-bromoprop-1-ynyl)naphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

243.98875 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.99603 147.9
[M+Na]+ 266.97797 162.4
[M-H]- 242.98147 152.0
[M+NH4]+ 262.02257 167.8
[M+K]+ 282.95191 147.6
[M+H-H2O]+ 226.98601 142.4
[M+HCOO]- 288.98695 165.5
[M+CH3COO]- 303.00260 161.1
[M+Na-2H]- 264.96342 155.8
[M]+ 243.98820 159.2
[M]- 243.98930 159.2
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