CID 12327039

6-bromo-1-methylnaphthalene

Structural Information

Molecular Formula
C11H9Br
SMILES
CC1=C2C=CC(=CC2=CC=C1)Br
InChI
InChI=1S/C11H9Br/c1-8-3-2-4-9-7-10(12)5-6-11(8)9/h2-7H,1H3
InChIKey
UQOWKZZSGRVPTA-UHFFFAOYSA-N
Compound name
6-bromo-1-methylnaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

219.98875 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.99603 138.7
[M+Na]+ 242.97797 151.6
[M-H]- 218.98147 146.4
[M+NH4]+ 238.02257 162.3
[M+K]+ 258.95191 140.2
[M+H-H2O]+ 202.98601 139.6
[M+HCOO]- 264.98695 160.1
[M+CH3COO]- 279.00260 154.9
[M+Na-2H]- 240.96342 148.5
[M]+ 219.98820 157.5
[M]- 219.98930 157.5
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