CID 13041

Pentafluorophenol

Structural Information

Molecular Formula
C6HF5O
SMILES
C1(=C(C(=C(C(=C1F)F)F)F)F)O
InChI
InChI=1S/C6HF5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
InChIKey
XBNGYFFABRKICK-UHFFFAOYSA-N
Compound name
2,3,4,5,6-pentafluorophenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

61
References

29243
Patents

183.99475 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.00203 147.5
[M+Na]+ 206.98397 155.7
[M+NH4]+ 202.02857 151.6
[M+K]+ 222.95791 150.7
[M-H]- 182.98747 142.7
[M+Na-2H]- 204.96942 149.3
[M]+ 183.99420 147.0
[M]- 183.99530 147.0
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