CID 12520784

1-bromo-8-(bromomethyl)naphthalene

Structural Information

Molecular Formula
C11H8Br2
SMILES
C1=CC2=C(C(=C1)CBr)C(=CC=C2)Br
InChI
InChI=1S/C11H8Br2/c12-7-9-5-1-3-8-4-2-6-10(13)11(8)9/h1-6H,7H2
InChIKey
RUGOMNXLAWWDCF-UHFFFAOYSA-N
Compound name
1-bromo-8-(bromomethyl)naphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
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

No literature data available for this compound.

Patent stripe

patents stripe