CID 29040640

3-[4-(chloromethyl)-2-methoxyphenoxymethyl]benzonitrile

Structural Information

Molecular Formula
C16H14ClNO2
SMILES
COC1=C(C=CC(=C1)CCl)OCC2=CC(=CC=C2)C#N
InChI
InChI=1S/C16H14ClNO2/c1-19-16-8-12(9-17)5-6-15(16)20-11-14-4-2-3-13(7-14)10-18/h2-8H,9,11H2,1H3
InChIKey
PCSUAWCTMRHOEP-UHFFFAOYSA-N
Compound name
3-[[4-(chloromethyl)-2-methoxyphenoxy]methyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.07132 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.07860 162.2
[M+Na]+ 310.06054 177.4
[M+NH4]+ 305.10514 167.6
[M+K]+ 326.03448 165.5
[M-H]- 286.06404 159.5
[M+Na-2H]- 308.04599 168.6
[M]+ 287.07077 163.2
[M]- 287.07187 163.2
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

No patent data available for this compound.