CID 61644993

2,2,2-trifluoro-1-[2-(trifluoromethyl)phenyl]ethan-1-ol

Structural Information

Molecular Formula
C9H6F6O
SMILES
C1=CC=C(C(=C1)C(C(F)(F)F)O)C(F)(F)F
InChI
InChI=1S/C9H6F6O/c10-8(11,12)6-4-2-1-3-5(6)7(16)9(13,14)15/h1-4,7,16H
InChIKey
BZYSZNZQTSWKFY-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-[2-(trifluoromethyl)phenyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

244.03229 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.03957 164.9
[M+Na]+ 267.02151 169.6
[M+NH4]+ 262.06611 167.1
[M+K]+ 282.99545 165.9
[M-H]- 243.02501 158.0
[M+Na-2H]- 265.00696 165.3
[M]+ 244.03174 163.2
[M]- 244.03284 163.2
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