CID 521063

41604-19-7

Structural Information

Molecular Formula
C12H8BrF
SMILES
C1=CC=C(C=C1)C2=C(C=C(C=C2)Br)F
InChI
InChI=1S/C12H8BrF/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h1-8H
InChIKey
HTRNHWBOBYFTQF-UHFFFAOYSA-N
Compound name
4-bromo-2-fluoro-1-phenylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

660
Patents

249.97934 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.98662 145.7
[M+Na]+ 272.96856 158.0
[M-H]- 248.97206 154.1
[M+NH4]+ 268.01316 166.7
[M+K]+ 288.94250 146.0
[M+H-H2O]+ 232.97660 144.9
[M+HCOO]- 294.97754 167.2
[M+CH3COO]- 308.99319 161.1
[M+Na-2H]- 270.95401 153.6
[M]+ 249.97879 162.6
[M]- 249.97989 162.6
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