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

0
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 153.8
[M+Na]+ 295.05282 161.7
[M-H]- 271.05632 148.4
[M+NH4]+ 290.09742 169.2
[M+K]+ 311.02676 157.7
[M+H-H2O]+ 255.06086 143.9
[M+HCOO]- 317.06180 165.2
[M+CH3COO]- 331.07745 193.8
[M+Na-2H]- 293.03827 159.1
[M]+ 272.06305 144.7
[M]- 272.06415 144.7
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