CID 134358553

Pech2odfb

Structural Information

Molecular Formula
C23H26F2O
SMILES
CCOC1=C(C(=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)/C=C/C)F)F
InChI
InChI=1S/C23H26F2O/c1-3-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-15-21(26-4-2)23(25)22(20)24/h3,5,10-17H,4,6-9H2,1-2H3/b5-3+
InChIKey
ANSYXPMJMYKRCZ-HWKANZROSA-N
Compound name
1-ethoxy-2,3-difluoro-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

356.19516 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.20244 187.6
[M+Na]+ 379.18438 193.6
[M-H]- 355.18788 193.8
[M+NH4]+ 374.22898 200.4
[M+K]+ 395.15832 186.6
[M+H-H2O]+ 339.19242 176.4
[M+HCOO]- 401.19336 204.0
[M+CH3COO]- 415.20901 217.5
[M+Na-2H]- 377.16983 185.1
[M]+ 356.19461 183.1
[M]- 356.19571 183.1
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