CID 67647

1-bromo 4-fluoronaphthalene

Structural Information

Molecular Formula
C10H6BrF
SMILES
C1=CC=C2C(=C1)C(=CC=C2Br)F
InChI
InChI=1S/C10H6BrF/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H
InChIKey
VAUJZKBFENPOCH-UHFFFAOYSA-N
Compound name
1-bromo-4-fluoronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

418
Patents

223.96368 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.97096 138.3
[M+Na]+ 246.95290 151.5
[M-H]- 222.95640 144.7
[M+NH4]+ 241.99750 161.5
[M+K]+ 262.92684 139.9
[M+H-H2O]+ 206.96094 138.3
[M+HCOO]- 268.96188 158.9
[M+CH3COO]- 282.97753 154.1
[M+Na-2H]- 244.93835 147.8
[M]+ 223.96313 155.6
[M]- 223.96423 155.6
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