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

25
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 152.7
[M+Na]+ 295.05282 162.4
[M-H]- 271.05632 148.1
[M+NH4]+ 290.09742 168.8
[M+K]+ 311.02676 158.6
[M+H-H2O]+ 255.06086 143.4
[M+HCOO]- 317.06180 164.1
[M+CH3COO]- 331.07745 196.2
[M+Na-2H]- 293.03827 156.8
[M]+ 272.06305 144.3
[M]- 272.06415 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