CID 236652

2-chloro-3-morpholino-1,4-naphthoquinone

Structural Information

Molecular Formula
C14H12ClNO3
SMILES
C1COCCN1C2=C(C(=O)C3=CC=CC=C3C2=O)Cl
InChI
InChI=1S/C14H12ClNO3/c15-11-12(16-5-7-19-8-6-16)14(18)10-4-2-1-3-9(10)13(11)17/h1-4H,5-8H2
InChIKey
KRGINZFLXQKIQZ-UHFFFAOYSA-N
Compound name
2-chloro-3-morpholin-4-ylnaphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

218
Patents

277.05057 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.05785 159.1
[M+Na]+ 300.03979 168.0
[M-H]- 276.04329 165.7
[M+NH4]+ 295.08439 174.4
[M+K]+ 316.01373 164.0
[M+H-H2O]+ 260.04783 151.5
[M+HCOO]- 322.04877 171.6
[M+CH3COO]- 336.06442 170.9
[M+Na-2H]- 298.02524 163.7
[M]+ 277.05002 159.0
[M]- 277.05112 159.0
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

patents stripe