CID 12149463

Dtxsid70889167

Structural Information

Molecular Formula
C16H22F4O3
SMILES
CCC(C)C1=CC=C(C=C1)OCC(COCC(C(F)F)(F)F)O
InChI
InChI=1S/C16H22F4O3/c1-3-11(2)12-4-6-14(7-5-12)23-9-13(21)8-22-10-16(19,20)15(17)18/h4-7,11,13,15,21H,3,8-10H2,1-2H3
InChIKey
CJBQJVABOFLHNY-UHFFFAOYSA-N
Compound name
1-(4-butan-2-ylphenoxy)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

15
Patents

338.1505 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.15778 177.2
[M+Na]+ 361.13972 181.8
[M-H]- 337.14322 173.2
[M+NH4]+ 356.18432 189.8
[M+K]+ 377.11366 179.1
[M+H-H2O]+ 321.14776 167.1
[M+HCOO]- 383.14870 189.7
[M+CH3COO]- 397.16435 210.7
[M+Na-2H]- 359.12517 175.1
[M]+ 338.14995 175.2
[M]- 338.15105 175.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe