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]+ 289.06462 158.4
[M+Na]+ 311.04656 167.7
[M-H]- 287.05006 157.8
[M+NH4]+ 306.09116 173.3
[M+K]+ 327.02050 162.1
[M+H-H2O]+ 271.05460 147.8
[M+HCOO]- 333.05554 172.8
[M+CH3COO]- 347.07119 197.9
[M+Na-2H]- 309.03201 162.9
[M]+ 288.05679 150.8
[M]- 288.05789 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