CID 3068485

Benzene, 1-fluoro-4-((2-(4-fluorophenyl)-2-methylpropoxy)methyl)-2-phenoxy-

Structural Information

Molecular Formula
C23H22F2O2
SMILES
CC(C)(COCC1=CC(=C(C=C1)F)OC2=CC=CC=C2)C3=CC=C(C=C3)F
InChI
InChI=1S/C23H22F2O2/c1-23(2,18-9-11-19(24)12-10-18)16-26-15-17-8-13-21(25)22(14-17)27-20-6-4-3-5-7-20/h3-14H,15-16H2,1-2H3
InChIKey
CPTRFRUYZIZULO-UHFFFAOYSA-N
Compound name
1-fluoro-4-[[2-(4-fluorophenyl)-2-methylpropoxy]methyl]-2-phenoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

368.15878 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.16606 189.2
[M+Na]+ 391.14800 196.3
[M-H]- 367.15150 196.0
[M+NH4]+ 386.19260 201.1
[M+K]+ 407.12194 190.5
[M+H-H2O]+ 351.15604 177.7
[M+HCOO]- 413.15698 208.2
[M+CH3COO]- 427.17263 218.0
[M+Na-2H]- 389.13345 191.9
[M]+ 368.15823 189.8
[M]- 368.15933 189.8
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