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

21
Patents

272.0636 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.07088 174.3
[M+Na]+ 295.05282 179.0
[M+NH4]+ 290.09742 176.2
[M+K]+ 311.02676 175.2
[M-H]- 271.05632 167.2
[M+Na-2H]- 293.03827 174.2
[M]+ 272.06305 172.7
[M]- 272.06415 172.7
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