CID 3067177

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

384.12924 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.13652 192.2
[M+Na]+ 407.11846 200.1
[M-H]- 383.12196 200.2
[M+NH4]+ 402.16306 204.5
[M+K]+ 423.09240 193.1
[M+H-H2O]+ 367.12650 182.2
[M+HCOO]- 429.12744 207.8
[M+CH3COO]- 443.14309 218.8
[M+Na-2H]- 405.10391 195.1
[M]+ 384.12869 196.4
[M]- 384.12979 196.4
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