CID 9993

1-bromo-4-fluorobenzene

Structural Information

Molecular Formula
C6H4BrF
SMILES
C1=CC(=CC=C1F)Br
InChI
InChI=1S/C6H4BrF/c7-5-1-3-6(8)4-2-5/h1-4H
InChIKey
AITNMTXHTIIIBB-UHFFFAOYSA-N
Compound name
1-bromo-4-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

8
References

9010
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 124.3
[M+Na]+ 196.93726 137.2
[M-H]- 172.94076 130.0
[M+NH4]+ 191.98186 148.4
[M+K]+ 212.91120 126.7
[M+H-H2O]+ 156.94530 124.7
[M+HCOO]- 218.94624 146.4
[M+CH3COO]- 232.96189 177.2
[M+Na-2H]- 194.92271 133.9
[M]+ 173.94749 141.1
[M]- 173.94859 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