CID 135396860

2-bromo-6-ethynylnaphthalene

Structural Information

Molecular Formula
C12H7Br
SMILES
C#CC1=CC2=C(C=C1)C=C(C=C2)Br
InChI
InChI=1S/C12H7Br/c1-2-9-3-4-11-8-12(13)6-5-10(11)7-9/h1,3-8H
InChIKey
JGKFEZJXFRMQJN-UHFFFAOYSA-N
Compound name
2-bromo-6-ethynylnaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.97311 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.980386 142.7
[M+Na]+ 252.962328 158.2
[M-H]- 228.965834 147.3
[M+NH4]+ 248.006933 163.2
[M+K]+ 268.936268 143.7
[M+H-H2O]+ 212.970370 137.5
[M+HCOO]- 274.971311 160.6
[M+CH3COO]- 288.986961 156.6
[M+Na-2H]- 250.947776 150.6
[M]+ 229.97256142 154.2
[M]- 229.97365858 154.2
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.