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]+ 230.98039 142.7
[M+Na]+ 252.96233 158.2
[M-H]- 228.96583 147.3
[M+NH4]+ 248.00693 163.2
[M+K]+ 268.93627 143.7
[M+H-H2O]+ 212.97037 137.5
[M+HCOO]- 274.97131 160.6
[M+CH3COO]- 288.98696 156.6
[M+Na-2H]- 250.94778 150.6
[M]+ 229.97256 154.2
[M]- 229.97366 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.