CID 11740010

[2,2'-binaphthalene]-1,1',4,4'-tetrone, 3-chloro-3'-amino-

Structural Information

Molecular Formula
C20H10ClNO4
SMILES
C1=CC=C2C(=C1)C(=O)C(=C(C2=O)N)C3=C(C(=O)C4=CC=CC=C4C3=O)Cl
InChI
InChI=1S/C20H10ClNO4/c21-15-13(17(23)9-5-1-3-7-11(9)19(15)25)14-16(22)20(26)12-8-4-2-6-10(12)18(14)24/h1-8H,22H2
InChIKey
JUPFBIXVRRTTCM-UHFFFAOYSA-N
Compound name
2-amino-3-(3-chloro-1,4-dioxonaphthalen-2-yl)naphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

363.02985 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.03713 180.6
[M+Na]+ 386.01907 192.9
[M-H]- 362.02257 189.6
[M+NH4]+ 381.06367 195.9
[M+K]+ 401.99301 185.9
[M+H-H2O]+ 346.02711 173.0
[M+HCOO]- 408.02805 196.5
[M+CH3COO]- 422.04370 192.3
[M+Na-2H]- 384.00452 183.1
[M]+ 363.02930 183.3
[M]- 363.03040 183.3
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.