CID 279573

64505-56-2

Structural Information

Molecular Formula
C18H14ClNO2
SMILES
CC1=CC(=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl)C
InChI
InChI=1S/C18H14ClNO2/c1-10-7-8-14(11(2)9-10)20-16-15(19)17(21)12-5-3-4-6-13(12)18(16)22/h3-9,20H,1-2H3
InChIKey
IJZYXDWLIZWMQQ-UHFFFAOYSA-N
Compound name
2-chloro-3-(2,4-dimethylanilino)naphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.07132 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.07860 169.4
[M+Na]+ 334.06054 186.6
[M+NH4]+ 329.10514 178.8
[M+K]+ 350.03448 177.0
[M-H]- 310.06404 175.6
[M+Na-2H]- 332.04599 178.0
[M]+ 311.07077 174.1
[M]- 311.07187 174.1
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.