CID 58051776

Tfpo-cf2-4pych

Structural Information

Molecular Formula
C22H29F5O2
SMILES
CCCCC1CCC(OC1)C2CCC(CC2)C(OC3=CC(=C(C(=C3)F)F)F)(F)F
InChI
InChI=1S/C22H29F5O2/c1-2-3-4-14-5-10-20(28-13-14)15-6-8-16(9-7-15)22(26,27)29-17-11-18(23)21(25)19(24)12-17/h11-12,14-16,20H,2-10,13H2,1H3
InChIKey
WOCIPHNEOCGYTC-UHFFFAOYSA-N
Compound name
5-butyl-2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]cyclohexyl]oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

420.20877 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.21605 203.4
[M+Na]+ 443.19799 207.1
[M-H]- 419.20149 205.2
[M+NH4]+ 438.24259 211.8
[M+K]+ 459.17193 202.2
[M+H-H2O]+ 403.20603 189.8
[M+HCOO]- 465.20697 210.0
[M+CH3COO]- 479.22262 227.8
[M+Na-2H]- 441.18344 198.2
[M]+ 420.20822 193.1
[M]- 420.20932 193.1
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