CID 3067132

80843-77-2

Structural Information

Molecular Formula
C24H23ClF2O3
SMILES
CC(C)(COCC1=CC(=CC=C1)OC2=CC(=CC=C2)Cl)C3=CC=C(C=C3)OC(F)F
InChI
InChI=1S/C24H23ClF2O3/c1-24(2,18-9-11-20(12-10-18)30-23(26)27)16-28-15-17-5-3-7-21(13-17)29-22-8-4-6-19(25)14-22/h3-14,23H,15-16H2,1-2H3
InChIKey
CGPAJSJHXXUXMU-UHFFFAOYSA-N
Compound name
1-chloro-3-[3-[[2-[4-(difluoromethoxy)phenyl]-2-methylpropoxy]methyl]phenoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

432.13037 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.13765 202.1
[M+Na]+ 455.11959 209.0
[M-H]- 431.12309 208.5
[M+NH4]+ 450.16419 212.1
[M+K]+ 471.09353 202.7
[M+H-H2O]+ 415.12763 190.8
[M+HCOO]- 477.12857 215.5
[M+CH3COO]- 491.14422 227.1
[M+Na-2H]- 453.10504 202.8
[M]+ 432.12982 206.5
[M]- 432.13092 206.5
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