CID 2839639

2-amino-6-chloro-4-(2-chlorophenyl)-7-hydroxy-4h-chromene-3-carbonitrile

Structural Information

Molecular Formula
C16H10Cl2N2O2
SMILES
C1=CC=C(C(=C1)C2C3=CC(=C(C=C3OC(=C2C#N)N)O)Cl)Cl
InChI
InChI=1S/C16H10Cl2N2O2/c17-11-4-2-1-3-8(11)15-9-5-12(18)13(21)6-14(9)22-16(20)10(15)7-19/h1-6,15,21H,20H2
InChIKey
PDTDAALRHMPNCF-UHFFFAOYSA-N
Compound name
2-amino-6-chloro-4-(2-chlorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

332.01193 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.01921 178.5
[M+Na]+ 355.00115 192.7
[M-H]- 331.00465 183.7
[M+NH4]+ 350.04575 191.6
[M+K]+ 370.97509 183.9
[M+H-H2O]+ 315.00919 167.0
[M+HCOO]- 377.01013 186.9
[M+CH3COO]- 391.02578 188.3
[M+Na-2H]- 352.98660 180.8
[M]+ 332.01138 176.3
[M]- 332.01248 176.3
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.