CID 74339

1699-59-8

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

147
Patents

338.10736 Da
Monoisotopic Mass

5.0
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

No literature data available for this compound.

Patent stripe

patents stripe