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

31443
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

literature stripe

Patent stripe

patents stripe