CID 3068474

Benzene, 1-fluoro-2-phenoxy-4-((2-methyl-2-phenylpropoxy)methyl)-

Structural Information

Molecular Formula
C23H23FO2
SMILES
CC(C)(COCC1=CC(=C(C=C1)F)OC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C23H23FO2/c1-23(2,19-9-5-3-6-10-19)17-25-16-18-13-14-21(24)22(15-18)26-20-11-7-4-8-12-20/h3-15H,16-17H2,1-2H3
InChIKey
ZSGRBTITOPZTOY-UHFFFAOYSA-N
Compound name
1-fluoro-4-[(2-methyl-2-phenylpropoxy)methyl]-2-phenoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

350.1682 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.17548 185.8
[M+Na]+ 373.15742 191.9
[M-H]- 349.16092 193.6
[M+NH4]+ 368.20202 198.2
[M+K]+ 389.13136 186.5
[M+H-H2O]+ 333.16546 175.2
[M+HCOO]- 395.16640 205.9
[M+CH3COO]- 409.18205 214.2
[M+Na-2H]- 371.14287 189.8
[M]+ 350.16765 187.1
[M]- 350.16875 187.1
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