CID 3068793

83823-22-7

Structural Information

Molecular Formula
C15H11ClN2O2
SMILES
C1C(=CC2=C(O1)C=CC(=C2)Cl)C(=O)N3C=CC=CC3=N
InChI
InChI=1S/C15H11ClN2O2/c16-12-4-5-13-10(8-12)7-11(9-20-13)15(19)18-6-2-1-3-14(18)17/h1-8,17H,9H2
InChIKey
QJHAPCQTRUBORH-UHFFFAOYSA-N
Compound name
(6-chloro-2H-chromen-3-yl)-(2-iminopyridin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.0509 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.05818 162.2
[M+Na]+ 309.04012 171.8
[M-H]- 285.04362 169.3
[M+NH4]+ 304.08472 176.7
[M+K]+ 325.01406 166.8
[M+H-H2O]+ 269.04816 154.2
[M+HCOO]- 331.04910 178.5
[M+CH3COO]- 345.06475 174.2
[M+Na-2H]- 307.02557 169.1
[M]+ 286.05035 163.6
[M]- 286.05145 163.6
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

No patent data available for this compound.