CID 3067163

Benzene, 1-((2-(3-chloro-4-fluorophenyl)-2-methylpropoxy)methyl)-3-(4-fluorophenoxy)-

Structural Information

Molecular Formula
C23H21ClF2O2
SMILES
CC(C)(COCC1=CC(=CC=C1)OC2=CC=C(C=C2)F)C3=CC(=C(C=C3)F)Cl
InChI
InChI=1S/C23H21ClF2O2/c1-23(2,17-6-11-22(26)21(24)13-17)15-27-14-16-4-3-5-20(12-16)28-19-9-7-18(25)8-10-19/h3-13H,14-15H2,1-2H3
InChIKey
NGNNGWMMLDDFBT-UHFFFAOYSA-N
Compound name
2-chloro-1-fluoro-4-[1-[[3-(4-fluorophenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

402.1198 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.12708 195.1
[M+Na]+ 425.10902 204.0
[M-H]- 401.11252 202.1
[M+NH4]+ 420.15362 206.9
[M+K]+ 441.08296 196.6
[M+H-H2O]+ 385.11706 184.2
[M+HCOO]- 447.11800 209.6
[M+CH3COO]- 461.13365 222.6
[M+Na-2H]- 423.09447 196.7
[M]+ 402.11925 198.7
[M]- 402.12035 198.7
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