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

86
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 143.8
[M+Na]+ 267.02151 152.8
[M-H]- 243.02501 138.8
[M+NH4]+ 262.06611 160.5
[M+K]+ 282.99545 149.2
[M+H-H2O]+ 227.02955 134.1
[M+HCOO]- 289.03049 156.4
[M+CH3COO]- 303.04614 189.2
[M+Na-2H]- 265.00696 147.4
[M]+ 244.03174 134.3
[M]- 244.03284 134.3
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