CID 12749148

1-(bromomethyl)-4-fluoronaphthalene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

237.97934 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.98662 143.1
[M+Na]+ 260.96856 155.9
[M-H]- 236.97206 149.3
[M+NH4]+ 256.01316 165.8
[M+K]+ 276.94250 144.0
[M+H-H2O]+ 220.97660 142.9
[M+HCOO]- 282.97754 163.4
[M+CH3COO]- 296.99319 158.5
[M+Na-2H]- 258.95401 152.0
[M]+ 237.97879 160.7
[M]- 237.97989 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

literature stripe

Patent stripe

patents stripe