CID 13931030

Fp3bchpa

Structural Information

Molecular Formula
C29H35F
SMILES
CCCC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)C#CC4=CC=C(C=C4)F
InChI
InChI=1S/C29H35F/c1-2-3-22-6-12-25(13-7-22)27-16-18-28(19-17-27)26-14-8-23(9-15-26)4-5-24-10-20-29(30)21-11-24/h8-11,14-15,20-22,25,27-28H,2-3,6-7,12-13,16-19H2,1H3
InChIKey
URYDHGJIICQXNT-UHFFFAOYSA-N
Compound name
1-fluoro-4-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]ethynyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

402.27228 Da
Monoisotopic Mass

10.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.27956 203.1
[M+Na]+ 425.26150 208.3
[M-H]- 401.26500 208.4
[M+NH4]+ 420.30610 211.7
[M+K]+ 441.23544 195.3
[M+H-H2O]+ 385.26954 186.0
[M+HCOO]- 447.27048 210.5
[M+CH3COO]- 461.28613 207.9
[M+Na-2H]- 423.24695 197.5
[M]+ 402.27173 188.2
[M]- 402.27283 188.2
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