CID 23391106

Fpmebchpa

Structural Information

Molecular Formula
C27H31F
SMILES
CC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)C#CC4=CC=C(C=C4)F
InChI
InChI=1S/C27H31F/c1-20-2-10-23(11-3-20)25-14-16-26(17-15-25)24-12-6-21(7-13-24)4-5-22-8-18-27(28)19-9-22/h6-9,12-13,18-20,23,25-26H,2-3,10-11,14-17H2,1H3
InChIKey
KKKJHAUKHUDNNB-UHFFFAOYSA-N
Compound name
1-fluoro-4-[2-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]ethynyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

374.24097 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.24825 195.6
[M+Na]+ 397.23019 201.6
[M-H]- 373.23369 201.3
[M+NH4]+ 392.27479 205.3
[M+K]+ 413.20413 189.1
[M+H-H2O]+ 357.23823 178.9
[M+HCOO]- 419.23917 203.6
[M+CH3COO]- 433.25482 201.2
[M+Na-2H]- 395.21564 191.0
[M]+ 374.24042 180.2
[M]- 374.24152 180.2
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