CID 149613158

3chtfetodfp

Structural Information

Molecular Formula
C17H21F5O
SMILES
CCCC1CCC(CC1)C2=C(C(=C(C=C2)OCC(F)(F)F)F)F
InChI
InChI=1S/C17H21F5O/c1-2-3-11-4-6-12(7-5-11)13-8-9-14(16(19)15(13)18)23-10-17(20,21)22/h8-9,11-12H,2-7,10H2,1H3
InChIKey
ABNRMFBAHVJLEU-UHFFFAOYSA-N
Compound name
2,3-difluoro-1-(4-propylcyclohexyl)-4-(2,2,2-trifluoroethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

336.15125 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.15853 177.0
[M+Na]+ 359.14047 183.8
[M-H]- 335.14397 176.4
[M+NH4]+ 354.18507 190.9
[M+K]+ 375.11441 178.5
[M+H-H2O]+ 319.14851 165.4
[M+HCOO]- 381.14945 189.1
[M+CH3COO]- 395.16510 212.2
[M+Na-2H]- 357.12592 175.1
[M]+ 336.15070 169.3
[M]- 336.15180 169.3
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