CID 89447519

2-bromo-6-(prop-1-yn-1-yl)naphthalene

Structural Information

Molecular Formula
C13H9Br
SMILES
CC#CC1=CC2=C(C=C1)C=C(C=C2)Br
InChI
InChI=1S/C13H9Br/c1-2-3-10-4-5-12-9-13(14)7-6-11(12)8-10/h4-9H,1H3
InChIKey
VKICNBFDBKAEGU-UHFFFAOYSA-N
Compound name
2-bromo-6-prop-1-ynylnaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

243.98875 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.99603 147.1
[M+Na]+ 266.97797 162.3
[M-H]- 242.98147 151.5
[M+NH4]+ 262.02257 167.2
[M+K]+ 282.95191 147.6
[M+H-H2O]+ 226.98601 141.8
[M+HCOO]- 288.98695 164.7
[M+CH3COO]- 303.00260 160.6
[M+Na-2H]- 264.96342 154.4
[M]+ 243.98820 158.8
[M]- 243.98930 158.8
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