CID 98288

1-(pentafluorophenyl)ethanol

Structural Information

Molecular Formula
C8H5F5O
SMILES
CC(C1=C(C(=C(C(=C1F)F)F)F)F)O
InChI
InChI=1S/C8H5F5O/c1-2(14)3-4(9)6(11)8(13)7(12)5(3)10/h2,14H,1H3
InChIKey
WYUNHWKTLDBPLE-UHFFFAOYSA-N
Compound name
1-(2,3,4,5,6-pentafluorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

151
Patents

212.02606 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.03334 134.0
[M+Na]+ 235.01528 146.0
[M-H]- 211.01878 131.3
[M+NH4]+ 230.05988 153.0
[M+K]+ 250.98922 142.3
[M+H-H2O]+ 195.02332 125.2
[M+HCOO]- 257.02426 151.1
[M+CH3COO]- 271.03991 188.5
[M+Na-2H]- 233.00073 134.6
[M]+ 212.02551 128.3
[M]- 212.02661 128.3
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