CID 19792999

2bchmeo-4odfp

Structural Information

Molecular Formula
C25H38F2O2
SMILES
CCCCOC1=C(C(=C(C=C1)OCC2CCC(CC2)C3CCC(CC3)CC)F)F
InChI
InChI=1S/C25H38F2O2/c1-3-5-16-28-22-14-15-23(25(27)24(22)26)29-17-19-8-12-21(13-9-19)20-10-6-18(4-2)7-11-20/h14-15,18-21H,3-13,16-17H2,1-2H3
InChIKey
QIUYUKCHAVJBOI-UHFFFAOYSA-N
Compound name
1-butoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

408.284 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.29128 205.2
[M+Na]+ 431.27322 206.6
[M-H]- 407.27672 209.5
[M+NH4]+ 426.31782 215.5
[M+K]+ 447.24716 201.0
[M+H-H2O]+ 391.28126 193.3
[M+HCOO]- 453.28220 216.4
[M+CH3COO]- 467.29785 227.9
[M+Na-2H]- 429.25867 198.6
[M]+ 408.28345 199.2
[M]- 408.28455 199.2
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