CID 3067125

3-phenoxybenzyl 2-(4-difluoromethoxyphenyl)-2-methylpropyl ether

Structural Information

Molecular Formula
C24H24F2O3
SMILES
CC(C)(COCC1=CC(=CC=C1)OC2=CC=CC=C2)C3=CC=C(C=C3)OC(F)F
InChI
InChI=1S/C24H24F2O3/c1-24(2,19-11-13-21(14-12-19)29-23(25)26)17-27-16-18-7-6-10-22(15-18)28-20-8-4-3-5-9-20/h3-15,23H,16-17H2,1-2H3
InChIKey
WYPFXTQJTZVUJS-UHFFFAOYSA-N
Compound name
1-(difluoromethoxy)-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

398.16934 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.17662 196.9
[M+Na]+ 421.15856 202.0
[M-H]- 397.16206 203.1
[M+NH4]+ 416.20316 207.0
[M+K]+ 437.13250 197.2
[M+H-H2O]+ 381.16660 184.9
[M+HCOO]- 443.16754 214.7
[M+CH3COO]- 457.18319 222.5
[M+Na-2H]- 419.14401 198.6
[M]+ 398.16879 198.2
[M]- 398.16989 198.2
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