CID 163207486

5chtfetodfp

Structural Information

Molecular Formula
C19H25F5O
SMILES
CCCCCC1CCC(CC1)C2=C(C(=C(C=C2)OCC(F)(F)F)F)F
InChI
InChI=1S/C19H25F5O/c1-2-3-4-5-13-6-8-14(9-7-13)15-10-11-16(18(21)17(15)20)25-12-19(22,23)24/h10-11,13-14H,2-9,12H2,1H3
InChIKey
DXIZRYIAQVGXBF-UHFFFAOYSA-N
Compound name
2,3-difluoro-1-(4-pentylcyclohexyl)-4-(2,2,2-trifluoroethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

364.18256 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.18984 186.4
[M+Na]+ 387.17178 192.2
[M-H]- 363.17528 185.3
[M+NH4]+ 382.21638 199.1
[M+K]+ 403.14572 186.5
[M+H-H2O]+ 347.17982 174.3
[M+HCOO]- 409.18076 197.8
[M+CH3COO]- 423.19641 218.1
[M+Na-2H]- 385.15723 183.3
[M]+ 364.18201 179.3
[M]- 364.18311 179.3
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