CID 469396

2-chloro-3-(chloroamino)naphthalene-1,4-dione

Structural Information

Molecular Formula
C10H5Cl2NO2
SMILES
C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NCl
InChI
InChI=1S/C10H5Cl2NO2/c11-7-8(13-12)10(15)6-4-2-1-3-5(6)9(7)14/h1-4,13H
InChIKey
NMKFCUZEFPRPJX-UHFFFAOYSA-N
Compound name
2-chloro-3-(chloroamino)naphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.96973 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.97701 144.3
[M+Na]+ 263.95895 156.2
[M-H]- 239.96245 149.0
[M+NH4]+ 259.00355 164.6
[M+K]+ 279.93289 150.3
[M+H-H2O]+ 223.96699 140.5
[M+HCOO]- 285.96793 159.1
[M+CH3COO]- 299.98358 192.4
[M+Na-2H]- 261.94440 150.5
[M]+ 240.96918 147.6
[M]- 240.97028 147.6
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.