CID 270563

1-bromo-5-methylnaphthalene

Structural Information

Molecular Formula
C11H9Br
SMILES
CC1=C2C=CC=C(C2=CC=C1)Br
InChI
InChI=1S/C11H9Br/c1-8-4-2-6-10-9(8)5-3-7-11(10)12/h2-7H,1H3
InChIKey
QFRWNUJVZXCUJG-UHFFFAOYSA-N
Compound name
1-bromo-5-methylnaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

219.98875 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.996026 138.7
[M+Na]+ 242.977968 151.6
[M-H]- 218.981474 146.4
[M+NH4]+ 238.022573 162.3
[M+K]+ 258.951908 140.2
[M+H-H2O]+ 202.986010 139.6
[M+HCOO]- 264.986951 160.1
[M+CH3COO]- 279.002601 154.9
[M+Na-2H]- 240.963416 148.5
[M]+ 219.98820142 157.5
[M]- 219.98929858 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