CID 69748

Alpha,alpha-bis(trifluoromethyl)benzyl alcohol

Structural Information

Molecular Formula
C9H6F6O
SMILES
C1=CC=C(C=C1)C(C(F)(F)F)(C(F)(F)F)O
InChI
InChI=1S/C9H6F6O/c10-8(11,12)7(16,9(13,14)15)6-4-2-1-3-5-6/h1-5,16H
InChIKey
IZPIZCAYJQCTNG-UHFFFAOYSA-N
Compound name
1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

759
Patents

244.03229 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.039566 144.3
[M+Na]+ 267.021508 153.0
[M-H]- 243.025014 139.2
[M+NH4]+ 262.066113 160.8
[M+K]+ 282.995448 149.5
[M+H-H2O]+ 227.029550 134.8
[M+HCOO]- 289.030491 156.3
[M+CH3COO]- 303.046141 187.9
[M+Na-2H]- 265.006956 150.6
[M]+ 244.03174142 134.4
[M]- 244.03283858 134.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe