CID 3068483

83493-06-5

Structural Information

Molecular Formula
C24H24ClFO2
SMILES
CCC(C)(COCC1=CC(=C(C=C1)F)OC2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C24H24ClFO2/c1-3-24(2,19-10-12-20(25)13-11-19)17-27-16-18-9-14-22(26)23(15-18)28-21-7-5-4-6-8-21/h4-15H,3,16-17H2,1-2H3
InChIKey
IQPIVIUXARHSLB-UHFFFAOYSA-N
Compound name
4-[[2-(4-chlorophenyl)-2-methylbutoxy]methyl]-1-fluoro-2-phenoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

398.1449 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.15218 196.8
[M+Na]+ 421.13412 204.3
[M-H]- 397.13762 204.6
[M+NH4]+ 416.17872 208.5
[M+K]+ 437.10806 197.1
[M+H-H2O]+ 381.14216 186.6
[M+HCOO]- 443.14310 212.1
[M+CH3COO]- 457.15875 221.7
[M+Na-2H]- 419.11957 199.1
[M]+ 398.14435 201.4
[M]- 398.14545 201.4
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