CID 69858

2,3,5,6-tetrafluorophenol

Structural Information

Molecular Formula
C6H2F4O
SMILES
C1=C(C(=C(C(=C1F)F)O)F)F
InChI
InChI=1S/C6H2F4O/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H
InChIKey
PBYIIRLNRCVTMQ-UHFFFAOYSA-N
Compound name
2,3,5,6-tetrafluorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

2453
Patents

166.00418 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.01146 122.0
[M+Na]+ 188.99340 134.2
[M-H]- 164.99690 120.6
[M+NH4]+ 184.03800 142.8
[M+K]+ 204.96734 131.0
[M+H-H2O]+ 149.00144 114.3
[M+HCOO]- 211.00238 142.0
[M+CH3COO]- 225.01803 177.5
[M+Na-2H]- 186.97885 126.3
[M]+ 166.00363 117.2
[M]- 166.00473 117.2
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