CID 37828

1-bromo-2-(bromomethyl)naphthalene

Structural Information

Molecular Formula
C11H8Br2
SMILES
C1=CC=C2C(=C1)C=CC(=C2Br)CBr
InChI
InChI=1S/C11H8Br2/c12-7-9-6-5-8-3-1-2-4-10(8)11(9)13/h1-6H,7H2
InChIKey
DQTOCXIHYIQHCK-UHFFFAOYSA-N
Compound name
1-bromo-2-(bromomethyl)naphthalene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

167
Patents

297.8993 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.90658 142.5
[M+Na]+ 320.88852 153.8
[M-H]- 296.89202 150.1
[M+NH4]+ 315.93312 162.8
[M+K]+ 336.86246 138.6
[M+H-H2O]+ 280.89656 151.3
[M+HCOO]- 342.89750 158.5
[M+CH3COO]- 356.91315 157.1
[M+Na-2H]- 318.87397 151.4
[M]+ 297.89875 176.6
[M]- 297.89985 176.6
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