CID 3066116

109523-93-5

Structural Information

Molecular Formula
C19H14ClNO2
SMILES
C1=CC=C(C(=C1)C2=CC=C(C=C2)COC(=O)C3=CN=CC=C3)Cl
InChI
InChI=1S/C19H14ClNO2/c20-18-6-2-1-5-17(18)15-9-7-14(8-10-15)13-23-19(22)16-4-3-11-21-12-16/h1-12H,13H2
InChIKey
MBGYSYXGNIXGGB-UHFFFAOYSA-N
Compound name
[4-(2-chlorophenyl)phenyl]methyl pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

323.07132 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.07860 173.6
[M+Na]+ 346.06054 181.8
[M-H]- 322.06404 181.6
[M+NH4]+ 341.10514 186.5
[M+K]+ 362.03448 175.3
[M+H-H2O]+ 306.06858 163.9
[M+HCOO]- 368.06952 191.1
[M+CH3COO]- 382.08517 184.7
[M+Na-2H]- 344.04599 178.2
[M]+ 323.07077 176.6
[M]- 323.07187 176.6
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