CID 2909428

2-amino-4-(2-chloro-6-fluorophenyl)-5-oxo-5,6,7,8-tetrahydro-4h-chromene-3-carbonitrile

Structural Information

Molecular Formula
C16H12ClFN2O2
SMILES
C1CC2=C(C(C(=C(O2)N)C#N)C3=C(C=CC=C3Cl)F)C(=O)C1
InChI
InChI=1S/C16H12ClFN2O2/c17-9-3-1-4-10(18)14(9)13-8(7-19)16(20)22-12-6-2-5-11(21)15(12)13/h1,3-4,13H,2,5-6,20H2
InChIKey
NMQCHOZUYKHYHV-UHFFFAOYSA-N
Compound name
2-amino-4-(2-chloro-6-fluorophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

318.05713 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.06441 172.6
[M+Na]+ 341.04635 186.1
[M+NH4]+ 336.09095 177.1
[M+K]+ 357.02029 175.1
[M-H]- 317.04985 169.7
[M+Na-2H]- 339.03180 174.9
[M]+ 318.05658 173.1
[M]- 318.05768 173.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.