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
4
Annotation Hits

61
References

30498
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 124.4
[M+Na]+ 206.98397 137.5
[M-H]- 182.98747 122.0
[M+NH4]+ 202.02857 144.6
[M+K]+ 222.95791 133.9
[M+H-H2O]+ 166.99201 115.9
[M+HCOO]- 228.99295 143.2
[M+CH3COO]- 243.00860 181.6
[M+Na-2H]- 204.96942 127.4
[M]+ 183.99420 118.7
[M]- 183.99530 118.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.