CID 137844

1-(bromomethyl)naphthalene

Structural Information

Molecular Formula
C11H9Br
SMILES
C1=CC=C2C(=C1)C=CC=C2CBr
InChI
InChI=1S/C11H9Br/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2
InChIKey
RZJGKPNCYQZFGR-UHFFFAOYSA-N
Compound name
1-(bromomethyl)naphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1803
Patents

219.98875 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.99603 136.4
[M+Na]+ 242.97797 142.5
[M+NH4]+ 238.02257 143.6
[M+K]+ 258.95191 140.1
[M-H]- 218.98147 139.2
[M+Na-2H]- 240.96342 142.5
[M]+ 219.98820 137.1
[M]- 219.98930 137.1
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