CID 71037686

2,3-difluoro-4-propoxy-4'-(trans-4-propylcyclohexyl)-1,1'-biphenyl

Structural Information

Molecular Formula
C24H30F2O
SMILES
CCCC1CCC(CC1)C2=CC=C(C=C2)C3=C(C(=C(C=C3)OCCC)F)F
InChI
InChI=1S/C24H30F2O/c1-3-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)21-14-15-22(27-16-4-2)24(26)23(21)25/h10-15,17-18H,3-9,16H2,1-2H3
InChIKey
PFDKETPYRPFESB-UHFFFAOYSA-N
Compound name
2,3-difluoro-1-propoxy-4-[4-(4-propylcyclohexyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

372.22647 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.23375 193.3
[M+Na]+ 395.21569 198.4
[M-H]- 371.21919 199.1
[M+NH4]+ 390.26029 205.4
[M+K]+ 411.18963 191.8
[M+H-H2O]+ 355.22373 181.7
[M+HCOO]- 417.22467 209.1
[M+CH3COO]- 431.24032 221.8
[M+Na-2H]- 393.20114 190.2
[M]+ 372.22592 189.9
[M]- 372.22702 189.9
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