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
4
Annotation Hits

4
References

9034
Patents

173.94804 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.955316 124.3
[M+Na]+ 196.937258 137.2
[M-H]- 172.940764 130.0
[M+NH4]+ 191.981863 148.4
[M+K]+ 212.911198 126.7
[M+H-H2O]+ 156.945300 124.7
[M+HCOO]- 218.946241 146.4
[M+CH3COO]- 232.961891 177.2
[M+Na-2H]- 194.922706 133.9
[M]+ 173.94749142 141.1
[M]- 173.94858858 141.1
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