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
1
Annotation Hits

0
References

123
Patents

338.10736 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.11464 179.7
[M+Na]+ 361.09658 187.1
[M-H]- 337.10008 188.7
[M+NH4]+ 356.14118 193.6
[M+K]+ 377.07052 180.4
[M+H-H2O]+ 321.10462 170.6
[M+HCOO]- 383.10556 198.7
[M+CH3COO]- 397.12121 190.8
[M+Na-2H]- 359.08203 184.3
[M]+ 338.10681 184.3
[M]- 338.10791 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