CID 17748

2797-51-5

Structural Information

Molecular Formula

C₁₀H₆ClNO₂

SMILES

C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)N

InChI

InChI=1S/C10H6ClNO2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H,12H2

InChIKey

OBLNWSCLAYSJJR-UHFFFAOYSA-N

Compound name

2-amino-3-chloronaphthalene-1,4-dione

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 13
References: 18423
Patents: 207.00871 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	208.01599	138.3
[M+Na]+	229.99793	149.9
[M-H]-	206.00143	143.3
[M+NH4]+	225.04253	159.4
[M+K]+	245.97187	144.9
[M+H-H2O]+	190.00597	133.9
[M+HCOO]-	252.00691	157.7
[M+CH3COO]-	266.02256	187.2
[M+Na-2H]-	227.98338	144.3
[M]+	207.00816	139.4
[M]-	207.00926	139.4

Literature stripe

literature stripe

Patent stripe

patents stripe