CID 15657408

1-(bromomethyl)-3-fluoronaphthalene

Structural Information

Molecular Formula
C11H8BrF
SMILES
C1=CC=C2C(=C1)C=C(C=C2CBr)F
InChI
InChI=1S/C11H8BrF/c12-7-9-6-10(13)5-8-3-1-2-4-11(8)9/h1-6H,7H2
InChIKey
PQMODMUNVSWGMK-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-3-fluoronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.