CID 90464381

3f3cht

Structural Information

Molecular Formula
C30H35F
SMILES
CCCC1CCC(CC1)C2=CC=C(C=C2)C3=C(C=C(C=C3)C4=CC=C(C=C4)CCC)F
InChI
InChI=1S/C30H35F/c1-3-5-22-7-11-24(12-8-22)25-15-17-27(18-16-25)29-20-19-28(21-30(29)31)26-13-9-23(6-4-2)10-14-26/h9-10,13-22,24H,3-8,11-12H2,1-2H3
InChIKey
NDTWDTKISRHZEL-UHFFFAOYSA-N
Compound name
2-fluoro-1-[4-(4-propylcyclohexyl)phenyl]-4-(4-propylphenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

414.27228 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.27956 208.0
[M+Na]+ 437.26150 211.7
[M-H]- 413.26500 217.4
[M+NH4]+ 432.30610 217.7
[M+K]+ 453.23544 203.1
[M+H-H2O]+ 397.26954 195.3
[M+HCOO]- 459.27048 223.7
[M+CH3COO]- 473.28613 215.3
[M+Na-2H]- 435.24695 204.4
[M]+ 414.27173 203.3
[M]- 414.27283 203.3
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