CID 634522

B3chfb

Structural Information

Molecular Formula
C30H41F
SMILES
CCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC(=C(C=C3)C4CCC(CC4)CCC)F
InChI
InChI=1S/C30H41F/c1-3-5-22-7-11-24(12-8-22)25-15-17-26(18-16-25)28-19-20-29(30(31)21-28)27-13-9-23(6-4-2)10-14-27/h15-24,27H,3-14H2,1-2H3
InChIKey
HLHNFCMOOSVBOU-UHFFFAOYSA-N
Compound name
2-fluoro-1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

420.31924 Da
Monoisotopic Mass

11.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.32652 211.0
[M+Na]+ 443.30846 211.6
[M-H]- 419.31196 219.2
[M+NH4]+ 438.35306 220.2
[M+K]+ 459.28240 203.5
[M+H-H2O]+ 403.31650 198.4
[M+HCOO]- 465.31744 222.5
[M+CH3COO]- 479.33309 216.6
[M+Na-2H]- 441.29391 204.4
[M]+ 420.31869 202.0
[M]- 420.31979 202.0
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