CID 19103514

4chet2odfp

Structural Information

Molecular Formula
C20H30F2O
SMILES
CCCCC1CCC(CC1)CCC2=C(C(=C(C=C2)OCC)F)F
InChI
InChI=1S/C20H30F2O/c1-3-5-6-15-7-9-16(10-8-15)11-12-17-13-14-18(23-4-2)20(22)19(17)21/h13-16H,3-12H2,1-2H3
InChIKey
DQMGYKVULMAKGH-UHFFFAOYSA-N
Compound name
1-[2-(4-butylcyclohexyl)ethyl]-4-ethoxy-2,3-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

324.22647 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.23375 180.6
[M+Na]+ 347.21569 185.3
[M-H]- 323.21919 183.3
[M+NH4]+ 342.26029 195.1
[M+K]+ 363.18963 180.3
[M+H-H2O]+ 307.22373 170.8
[M+HCOO]- 369.22467 196.6
[M+CH3COO]- 383.24032 213.0
[M+Na-2H]- 345.20114 178.2
[M]+ 324.22592 178.2
[M]- 324.22702 178.2
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