CID 3068477

3-phenoxy-4-fluorobenzyl 2-(4-chlorophenyl)butyl ether

Structural Information

Molecular Formula
C23H22ClFO2
SMILES
CCC(COCC1=CC(=C(C=C1)F)OC2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H22ClFO2/c1-2-18(19-9-11-20(24)12-10-19)16-26-15-17-8-13-22(25)23(14-17)27-21-6-4-3-5-7-21/h3-14,18H,2,15-16H2,1H3
InChIKey
LCHQMXPNDZIEGL-UHFFFAOYSA-N
Compound name
4-[2-(4-chlorophenyl)butoxymethyl]-1-fluoro-2-phenoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

384.12924 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.13652 191.6
[M+Na]+ 407.11846 198.7
[M-H]- 383.12196 199.2
[M+NH4]+ 402.16306 203.6
[M+K]+ 423.09240 191.6
[M+H-H2O]+ 367.12650 181.2
[M+HCOO]- 429.12744 207.8
[M+CH3COO]- 443.14309 219.2
[M+Na-2H]- 405.10391 192.5
[M]+ 384.12869 195.7
[M]- 384.12979 195.7
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