CID 2775085

2-(2,5-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

Structural Information

Molecular Formula
C11H10F6O
SMILES
CC1=CC(=C(C=C1)C)C(C(F)(F)F)(C(F)(F)F)O
InChI
InChI=1S/C11H10F6O/c1-6-3-4-7(2)8(5-6)9(18,10(12,13)14)11(15,16)17/h3-5,18H,1-2H3
InChIKey
OQOULCPVNZYDHV-UHFFFAOYSA-N
Compound name
2-(2,5-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

272.0636 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.070876 152.7
[M+Na]+ 295.052818 162.4
[M-H]- 271.056324 148.1
[M+NH4]+ 290.097423 168.8
[M+K]+ 311.026758 158.6
[M+H-H2O]+ 255.060860 143.4
[M+HCOO]- 317.061801 164.1
[M+CH3COO]- 331.077451 196.2
[M+Na-2H]- 293.038266 156.8
[M]+ 272.06305142 144.3
[M]- 272.06414858 144.3
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