CID 67864623

2chp2odfpa

Structural Information

Molecular Formula
C24H26F2O
SMILES
CCC1CCC(CC1)C2=CC=C(C=C2)C#CC3=C(C(=C(C=C3)OCC)F)F
InChI
InChI=1S/C24H26F2O/c1-3-17-5-10-19(11-6-17)20-12-7-18(8-13-20)9-14-21-15-16-22(27-4-2)24(26)23(21)25/h7-8,12-13,15-17,19H,3-6,10-11H2,1-2H3
InChIKey
PPAQXTIEMOHKNE-UHFFFAOYSA-N
Compound name
1-ethoxy-4-[2-[4-(4-ethylcyclohexyl)phenyl]ethynyl]-2,3-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

368.19516 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.20244 187.9
[M+Na]+ 391.18438 196.9
[M-H]- 367.18788 191.4
[M+NH4]+ 386.22898 198.8
[M+K]+ 407.15832 186.8
[M+H-H2O]+ 351.19242 171.6
[M+HCOO]- 413.19336 199.0
[M+CH3COO]- 427.20901 223.0
[M+Na-2H]- 389.16983 184.6
[M]+ 368.19461 178.6
[M]- 368.19571 178.6
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