CID 3038984

F 1124

Structural Information

Molecular Formula
C20H16ClNO2
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)OCC3=CC=CC=N3)Cl
InChI
InChI=1S/C20H16ClNO2/c21-20(16-9-3-1-4-10-16,17-11-5-2-6-12-17)19(23)24-15-18-13-7-8-14-22-18/h1-14H,15H2
InChIKey
KHUGEJWIAUPTIG-UHFFFAOYSA-N
Compound name
pyridin-2-ylmethyl 2-chloro-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.08694 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.09422 178.4
[M+Na]+ 360.07616 184.7
[M-H]- 336.07966 185.8
[M+NH4]+ 355.12076 190.2
[M+K]+ 376.05010 178.4
[M+H-H2O]+ 320.08420 168.6
[M+HCOO]- 382.08514 193.9
[M+CH3COO]- 396.10079 206.0
[M+Na-2H]- 358.06161 184.7
[M]+ 337.08639 180.4
[M]- 337.08749 180.4
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.