CID 4250949

1-bromo-8-methylnaphthalene

Structural Information

Molecular Formula
C11H9Br
SMILES
CC1=C2C(=CC=C1)C=CC=C2Br
InChI
InChI=1S/C11H9Br/c1-8-4-2-5-9-6-3-7-10(12)11(8)9/h2-7H,1H3
InChIKey
QTWVRVGVJURUFK-UHFFFAOYSA-N
Compound name
1-bromo-8-methylnaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

218
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

literature stripe

Patent stripe

patents stripe