CID 3068495

83493-40-7

Structural Information

Molecular Formula
C25H27FO4
SMILES
CC(C)(COCC1=CC(=C(C=C1)F)OC2=CC=CC=C2)C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C25H27FO4/c1-25(2,19-11-13-22(27-3)24(15-19)28-4)17-29-16-18-10-12-21(26)23(14-18)30-20-8-6-5-7-9-20/h5-15H,16-17H2,1-4H3
InChIKey
KAPZZBJCTCHZNI-UHFFFAOYSA-N
Compound name
4-[[2-(3,4-dimethoxyphenyl)-2-methylpropoxy]methyl]-1-fluoro-2-phenoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

410.18933 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.19661 201.4
[M+Na]+ 433.17855 208.0
[M-H]- 409.18205 209.6
[M+NH4]+ 428.22315 211.7
[M+K]+ 449.15249 203.9
[M+H-H2O]+ 393.18659 190.1
[M+HCOO]- 455.18753 221.1
[M+CH3COO]- 469.20318 226.5
[M+Na-2H]- 431.16400 203.2
[M]+ 410.18878 207.0
[M]- 410.18988 207.0
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