CID 59203779

Pebchmeo-2odfp

Structural Information

Molecular Formula
C24H34F2O2
SMILES
CCOC1=C(C(=C(C=C1)OCC2CCC(CC2)C3CCC(CC3)/C=C/C)F)F
InChI
InChI=1S/C24H34F2O2/c1-3-5-17-6-10-19(11-7-17)20-12-8-18(9-13-20)16-28-22-15-14-21(27-4-2)23(25)24(22)26/h3,5,14-15,17-20H,4,6-13,16H2,1-2H3/b5-3+
InChIKey
QRPWINPUDPHOBM-HWKANZROSA-N
Compound name
1-ethoxy-2,3-difluoro-4-[[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]methoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

392.2527 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.25998 199.6
[M+Na]+ 415.24192 201.9
[M-H]- 391.24542 204.3
[M+NH4]+ 410.28652 210.6
[M+K]+ 431.21586 195.9
[M+H-H2O]+ 375.24996 188.1
[M+HCOO]- 437.25090 211.5
[M+CH3COO]- 451.26655 223.7
[M+Na-2H]- 413.22737 193.6
[M]+ 392.25215 192.5
[M]- 392.25325 192.5
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