CID 3066106

F 2832

Structural Information

Molecular Formula
C19H16ClNO
SMILES
C1=CC=C(C(=C1)C2=CC=C(C=C2)COCC3=CN=CC=C3)Cl
InChI
InChI=1S/C19H16ClNO/c20-19-6-2-1-5-18(19)17-9-7-15(8-10-17)13-22-14-16-4-3-11-21-12-16/h1-12H,13-14H2
InChIKey
UUBWIYAWFAKHEH-UHFFFAOYSA-N
Compound name
3-[[4-(2-chlorophenyl)phenyl]methoxymethyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

309.09204 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.09932 171.4
[M+Na]+ 332.08126 179.7
[M-H]- 308.08476 179.1
[M+NH4]+ 327.12586 185.0
[M+K]+ 348.05520 172.5
[M+H-H2O]+ 292.08930 161.7
[M+HCOO]- 354.09024 189.4
[M+CH3COO]- 368.10589 182.6
[M+Na-2H]- 330.06671 177.1
[M]+ 309.09149 174.2
[M]- 309.09259 174.2
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.