CID 291208

1,8-bis(bromomethyl)naphthalene

Structural Information

Molecular Formula
C12H10Br2
SMILES
C1=CC2=C(C(=C1)CBr)C(=CC=C2)CBr
InChI
InChI=1S/C12H10Br2/c13-7-10-5-1-3-9-4-2-6-11(8-14)12(9)10/h1-6H,7-8H2
InChIKey
GCZOMCDXYFMAGP-UHFFFAOYSA-N
Compound name
1,8-bis(bromomethyl)naphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

243
Patents

311.91492 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.922196 146.7
[M+Na]+ 334.904138 157.7
[M-H]- 310.907644 154.2
[M+NH4]+ 329.948743 166.5
[M+K]+ 350.878078 142.3
[M+H-H2O]+ 294.912180 155.4
[M+HCOO]- 356.913121 162.5
[M+CH3COO]- 370.928771 160.9
[M+Na-2H]- 332.889586 155.1
[M]+ 311.91437142 181.0
[M]- 311.91546858 181.0
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