CID 58612788

Tfpo-cf2-5pych

Structural Information

Molecular Formula
C23H31F5O2
SMILES
CCCCCC1CCC(OC1)C2CCC(CC2)C(OC3=CC(=C(C(=C3)F)F)F)(F)F
InChI
InChI=1S/C23H31F5O2/c1-2-3-4-5-15-6-11-21(29-14-15)16-7-9-17(10-8-16)23(27,28)30-18-12-19(24)22(26)20(25)13-18/h12-13,15-17,21H,2-11,14H2,1H3
InChIKey
YOLCTISREKPKPJ-UHFFFAOYSA-N
Compound name
2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]cyclohexyl]-5-pentyloxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

434.22443 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.23171 207.9
[M+Na]+ 457.21365 211.2
[M-H]- 433.21715 209.5
[M+NH4]+ 452.25825 215.8
[M+K]+ 473.18759 206.1
[M+H-H2O]+ 417.22169 194.2
[M+HCOO]- 479.22263 214.2
[M+CH3COO]- 493.23828 230.8
[M+Na-2H]- 455.19910 202.2
[M]+ 434.22388 198.0
[M]- 434.22498 198.0
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