CID 57907

2-butanol, 4-phenyl-1,1,1-trifluoro-2-trifluoromethyl-

Structural Information

Molecular Formula
C11H10F6O
SMILES
C1=CC=C(C=C1)CCC(C(F)(F)F)(C(F)(F)F)O
InChI
InChI=1S/C11H10F6O/c12-10(13,14)9(18,11(15,16)17)7-6-8-4-2-1-3-5-8/h1-5,18H,6-7H2
InChIKey
UPXUFKHOKCDHIX-UHFFFAOYSA-N
Compound name
1,1,1-trifluoro-4-phenyl-2-(trifluoromethyl)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

272.0636 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.07088 171.9
[M+Na]+ 295.05282 176.1
[M+NH4]+ 290.09742 173.8
[M+K]+ 311.02676 172.2
[M-H]- 271.05632 164.6
[M+Na-2H]- 293.03827 172.3
[M]+ 272.06305 170.1
[M]- 272.06415 170.1
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