CID 9461

4-fluorobiphenyl

Structural Information

Molecular Formula
C12H9F
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)F
InChI
InChI=1S/C12H9F/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
InChIKey
RUYZJEIKQYLEGZ-UHFFFAOYSA-N
Compound name
1-fluoro-4-phenylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

15
References

2963
Patents

172.06883 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.07611 132.5
[M+Na]+ 195.05805 141.2
[M-H]- 171.06155 138.3
[M+NH4]+ 190.10265 152.8
[M+K]+ 211.03199 137.3
[M+H-H2O]+ 155.06609 125.2
[M+HCOO]- 217.06703 156.6
[M+CH3COO]- 231.08268 146.6
[M+Na-2H]- 193.04350 140.6
[M]+ 172.06828 130.2
[M]- 172.06938 130.2
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