CID 22089475

Fpmechpa

Structural Information

Molecular Formula
C21H21F
SMILES
CC1CCC(CC1)C2=CC=C(C=C2)C#CC3=CC=C(C=C3)F
InChI
InChI=1S/C21H21F/c1-16-2-10-19(11-3-16)20-12-6-17(7-13-20)4-5-18-8-14-21(22)15-9-18/h6-9,12-16,19H,2-3,10-11H2,1H3
InChIKey
IWBHQVQHLVFYIZ-UHFFFAOYSA-N
Compound name
1-fluoro-4-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

292.16272 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.17000 172.1
[M+Na]+ 315.15194 180.8
[M-H]- 291.15544 176.7
[M+NH4]+ 310.19654 185.4
[M+K]+ 331.12588 170.7
[M+H-H2O]+ 275.15998 157.1
[M+HCOO]- 337.16092 184.8
[M+CH3COO]- 351.17657 180.6
[M+Na-2H]- 313.13739 171.9
[M]+ 292.16217 160.8
[M]- 292.16327 160.8
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