CID 488282

2-benzoxazoleethanol, a,a-dicyclopentyl-b,b-difluoro-

Structural Information

Molecular Formula
C19H23F2NO2
SMILES
C1CCC(C1)C(C2CCCC2)(C(C3=NC4=CC=CC=C4O3)(F)F)O
InChI
InChI=1S/C19H23F2NO2/c20-19(21,17-22-15-11-5-6-12-16(15)24-17)18(23,13-7-1-2-8-13)14-9-3-4-10-14/h5-6,11-14,23H,1-4,7-10H2
InChIKey
UYTSTOOMYLCDPZ-UHFFFAOYSA-N
Compound name
2-(1,3-benzoxazol-2-yl)-1,1-dicyclopentyl-2,2-difluoroethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.16968 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.17696 175.5
[M+Na]+ 358.15890 180.4
[M-H]- 334.16240 181.5
[M+NH4]+ 353.20350 191.5
[M+K]+ 374.13284 177.3
[M+H-H2O]+ 318.16694 168.5
[M+HCOO]- 380.16788 188.9
[M+CH3COO]- 394.18353 185.2
[M+Na-2H]- 356.14435 175.6
[M]+ 335.16913 170.6
[M]- 335.17023 170.6
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.