CID 162516345

5chdfetodfp

Structural Information

Molecular Formula
C19H26F4O
SMILES
CCCCCC1CCC(CC1)C2=C(C(=C(C=C2)OCC(F)F)F)F
InChI
InChI=1S/C19H26F4O/c1-2-3-4-5-13-6-8-14(9-7-13)15-10-11-16(19(23)18(15)22)24-12-17(20)21/h10-11,13-14,17H,2-9,12H2,1H3
InChIKey
CBZODKHNJWBTSG-UHFFFAOYSA-N
Compound name
1-(2,2-difluoroethoxy)-2,3-difluoro-4-(4-pentylcyclohexyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

346.192 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.19928 182.9
[M+Na]+ 369.18122 187.9
[M-H]- 345.18472 182.9
[M+NH4]+ 364.22582 196.2
[M+K]+ 385.15516 182.6
[M+H-H2O]+ 329.18926 171.3
[M+HCOO]- 391.19020 196.0
[M+CH3COO]- 405.20585 216.3
[M+Na-2H]- 367.16667 178.5
[M]+ 346.19145 177.1
[M]- 346.19255 177.1
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