CID 145997051

2229269-48-9

Structural Information

Molecular Formula
C9H5ClF6O
SMILES
C1=CC(=C(C=C1Cl)C(F)(F)F)C(C(F)(F)F)O
InChI
InChI=1S/C9H5ClF6O/c10-4-1-2-5(7(17)9(14,15)16)6(3-4)8(11,12)13/h1-3,7,17H
InChIKey
JQHQCMZQOOUQHH-UHFFFAOYSA-N
Compound name
1-[4-chloro-2-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.99332 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.00060 146.6
[M+Na]+ 300.98254 157.2
[M-H]- 276.98604 141.9
[M+NH4]+ 296.02714 163.1
[M+K]+ 316.95648 151.7
[M+H-H2O]+ 260.99058 137.8
[M+HCOO]- 322.99152 154.9
[M+CH3COO]- 337.00717 194.1
[M+Na-2H]- 298.96799 149.4
[M]+ 277.99277 139.7
[M]- 277.99387 139.7
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

No patent data available for this compound.