CID 3068490

83493-23-6

Structural Information

Molecular Formula
C27H31FO4
SMILES
CCOCCOC1=CC=C(C=C1)C(C)(C)COCC2=CC(=C(C=C2)F)OC3=CC=CC=C3
InChI
InChI=1S/C27H31FO4/c1-4-29-16-17-31-23-13-11-22(12-14-23)27(2,3)20-30-19-21-10-15-25(28)26(18-21)32-24-8-6-5-7-9-24/h5-15,18H,4,16-17,19-20H2,1-3H3
InChIKey
RXPGBMSRSZJJPX-UHFFFAOYSA-N
Compound name
4-[[2-[4-(2-ethoxyethoxy)phenyl]-2-methylpropoxy]methyl]-1-fluoro-2-phenoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

438.22064 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.22792 210.7
[M+Na]+ 461.20986 215.4
[M-H]- 437.21336 217.9
[M+NH4]+ 456.25446 219.4
[M+K]+ 477.18380 210.7
[M+H-H2O]+ 421.21790 198.7
[M+HCOO]- 483.21884 229.6
[M+CH3COO]- 497.23449 231.0
[M+Na-2H]- 459.19531 212.0
[M]+ 438.22009 216.4
[M]- 438.22119 216.4
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