CID 14082

1-bromo-3-fluorobenzene

Structural Information

Molecular Formula
C6H4BrF
SMILES
C1=CC(=CC(=C1)Br)F
InChI
InChI=1S/C6H4BrF/c7-5-2-1-3-6(8)4-5/h1-4H
InChIKey
QDFKKJYEIFBEFC-UHFFFAOYSA-N
Compound name
1-bromo-3-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

6490
Patents

173.94804 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.95532 126.9
[M+Na]+ 196.93726 131.4
[M+NH4]+ 191.98186 132.9
[M+K]+ 212.91120 130.3
[M-H]- 172.94076 127.4
[M+Na-2H]- 194.92271 132.0
[M]+ 173.94749 126.6
[M]- 173.94859 126.6
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