CID 19793022

3bchmeo-4odfp

Structural Information

Molecular Formula
C26H40F2O2
SMILES
CCCCOC1=C(C(=C(C=C1)OCC2CCC(CC2)C3CCC(CC3)CCC)F)F
InChI
InChI=1S/C26H40F2O2/c1-3-5-17-29-23-15-16-24(26(28)25(23)27)30-18-20-9-13-22(14-10-20)21-11-7-19(6-4-2)8-12-21/h15-16,19-22H,3-14,17-18H2,1-2H3
InChIKey
DJRKHODGCWXUQY-UHFFFAOYSA-N
Compound name
1-butoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

422.29962 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.30690 209.6
[M+Na]+ 445.28884 210.6
[M-H]- 421.29234 213.7
[M+NH4]+ 440.33344 219.3
[M+K]+ 461.26278 204.7
[M+H-H2O]+ 405.29688 197.5
[M+HCOO]- 467.29782 220.5
[M+CH3COO]- 481.31347 230.9
[M+Na-2H]- 443.27429 202.5
[M]+ 422.29907 203.9
[M]- 422.30017 203.9
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