CID 9696

Pentafluorobenzene

Structural Information

Molecular Formula
C6HF5
SMILES
C1=C(C(=C(C(=C1F)F)F)F)F
InChI
InChI=1S/C6HF5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H
InChIKey
WACNXHCZHTVBJM-UHFFFAOYSA-N
Compound name
1,2,3,4,5-pentafluorobenzene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

198
References

24604
Patents

167.99985 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.00713 120.8
[M+Na]+ 190.98907 133.4
[M-H]- 166.99257 119.4
[M+NH4]+ 186.03367 142.1
[M+K]+ 206.96301 130.3
[M+H-H2O]+ 150.99711 112.1
[M+HCOO]- 212.99805 140.9
[M+CH3COO]- 227.01370 181.1
[M+Na-2H]- 188.97452 125.1
[M]+ 167.99930 115.1
[M]- 168.00040 115.1
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