CID 70320

2-(bromomethyl)naphthalene

Structural Information

Molecular Formula
C11H9Br
SMILES
C1=CC=C2C=C(C=CC2=C1)CBr
InChI
InChI=1S/C11H9Br/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2
InChIKey
RUHJZSZTSCSTCC-UHFFFAOYSA-N
Compound name
2-(bromomethyl)naphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

4690
Patents

219.98875 Da
Monoisotopic Mass

3.7
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