CID 259092

733-83-5

Structural Information

Molecular Formula
C14H9F5O
SMILES
C1=CC(=CC=C1C(C2=CC=C(C=C2)F)(C(F)(F)F)O)F
InChI
InChI=1S/C14H9F5O/c15-11-5-1-9(2-6-11)13(20,14(17,18)19)10-3-7-12(16)8-4-10/h1-8,20H
InChIKey
FLLLTDUIYQQQQP-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1,1-bis(4-fluorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

288.05734 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.064616 158.4
[M+Na]+ 311.046558 167.7
[M-H]- 287.050064 157.8
[M+NH4]+ 306.091163 173.3
[M+K]+ 327.020498 162.1
[M+H-H2O]+ 271.054600 147.8
[M+HCOO]- 333.055541 172.8
[M+CH3COO]- 347.071191 197.9
[M+Na-2H]- 309.032006 162.9
[M]+ 288.05679142 150.8
[M]- 288.05788858 150.8
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

patents stripe