CID 298177

2,3,4,5,6-pentafluorobiphenyl

Structural Information

Molecular Formula
C12H5F5
SMILES
C1=CC=C(C=C1)C2=C(C(=C(C(=C2F)F)F)F)F
InChI
InChI=1S/C12H5F5/c13-8-7(6-4-2-1-3-5-6)9(14)11(16)12(17)10(8)15/h1-5H
InChIKey
BEKHDAJTCOSDPJ-UHFFFAOYSA-N
Compound name
1,2,3,4,5-pentafluoro-6-phenylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

1692
Patents

244.03114 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.03842 143.8
[M+Na]+ 267.02036 156.3
[M-H]- 243.02386 145.4
[M+NH4]+ 262.06496 161.9
[M+K]+ 282.99430 150.7
[M+H-H2O]+ 227.02840 133.1
[M+HCOO]- 289.02934 163.4
[M+CH3COO]- 303.04499 195.7
[M+Na-2H]- 265.00581 146.3
[M]+ 244.03059 138.4
[M]- 244.03169 138.4
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