CID 20243762

2-(bromomethyl)-1-fluoronaphthalene

Structural Information

Molecular Formula
C11H8BrF
SMILES
C1=CC=C2C(=C1)C=CC(=C2F)CBr
InChI
InChI=1S/C11H8BrF/c12-7-9-6-5-8-3-1-2-4-10(8)11(9)13/h1-6H,7H2
InChIKey
PAHUXWTYHZWLRB-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-1-fluoronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

237.97934 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.986616 143.1
[M+Na]+ 260.968558 155.9
[M-H]- 236.972064 149.3
[M+NH4]+ 256.013163 165.8
[M+K]+ 276.942498 144.0
[M+H-H2O]+ 220.976600 142.9
[M+HCOO]- 282.977541 163.4
[M+CH3COO]- 296.993191 158.5
[M+Na-2H]- 258.954006 152.0
[M]+ 237.97879142 160.7
[M]- 237.97988858 160.7
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