CID 12707065

67093-27-0

Structural Information

Molecular Formula
C21H19ClO2
SMILES
C1=CC=C(C=C1)COC2=CC(=CC(=C2)CCl)OCC3=CC=CC=C3
InChI
InChI=1S/C21H19ClO2/c22-14-19-11-20(23-15-17-7-3-1-4-8-17)13-21(12-19)24-16-18-9-5-2-6-10-18/h1-13H,14-16H2
InChIKey
XUEMEGUYMPJSKL-UHFFFAOYSA-N
Compound name
1-(chloromethyl)-3,5-bis(phenylmethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

338.10736 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.114636 179.7
[M+Na]+ 361.096578 187.1
[M-H]- 337.100084 188.7
[M+NH4]+ 356.141183 193.6
[M+K]+ 377.070518 180.4
[M+H-H2O]+ 321.104620 170.6
[M+HCOO]- 383.105561 198.7
[M+CH3COO]- 397.121211 190.8
[M+Na-2H]- 359.082026 184.3
[M]+ 338.10681142 184.3
[M]- 338.10790858 184.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe