CID 57598717

Pechche2odfp

Structural Information

Molecular Formula
C23H30F2O
SMILES
CCOC1=C(C(=C(C=C1)C2=CCC(CC2)C3CCC(CC3)/C=C/C)F)F
InChI
InChI=1S/C23H30F2O/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/h3,5,12,14-18H,4,6-11,13H2,1-2H3/b5-3+
InChIKey
FHADRZQBDFXUAV-HWKANZROSA-N
Compound name
1-ethoxy-2,3-difluoro-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexen-1-yl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

360.22647 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.23375 190.3
[M+Na]+ 383.21569 194.2
[M-H]- 359.21919 195.7
[M+NH4]+ 378.26029 202.8
[M+K]+ 399.18963 187.7
[M+H-H2O]+ 343.22373 179.2
[M+HCOO]- 405.22467 203.9
[M+CH3COO]- 419.24032 218.3
[M+Na-2H]- 381.20114 185.8
[M]+ 360.22592 182.9
[M]- 360.22702 182.9
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