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

1879
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 139.3
[M+Na]+ 242.97797 151.2
[M-H]- 218.98147 146.5
[M+NH4]+ 238.02257 162.5
[M+K]+ 258.95191 139.8
[M+H-H2O]+ 202.98601 140.0
[M+HCOO]- 264.98695 160.6
[M+CH3COO]- 279.00260 155.0
[M+Na-2H]- 240.96342 149.7
[M]+ 219.98820 157.7
[M]- 219.98930 157.7
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