CID 640593

1-bromo-6-methylnaphthalene

Structural Information

Molecular Formula
C11H9Br
SMILES
CC1=CC2=C(C=C1)C(=CC=C2)Br
InChI
InChI=1S/C11H9Br/c1-8-5-6-10-9(7-8)3-2-4-11(10)12/h2-7H,1H3
InChIKey
BEDPUGSDUDHPMR-UHFFFAOYSA-N
Compound name
1-bromo-6-methylnaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

219.98875 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.99603 135.8
[M+Na]+ 242.97797 142.1
[M+NH4]+ 238.02257 142.9
[M+K]+ 258.95191 140.0
[M-H]- 218.98147 138.6
[M+Na-2H]- 240.96342 141.7
[M]+ 219.98820 136.6
[M]- 219.98930 136.6
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