CID 3374103

2-chloro-3-(4-phenoxyanilino)naphthoquinone

Structural Information

Molecular Formula
C22H14ClNO3
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=C(C(=O)C4=CC=CC=C4C3=O)Cl
InChI
InChI=1S/C22H14ClNO3/c23-19-20(22(26)18-9-5-4-8-17(18)21(19)25)24-14-10-12-16(13-11-14)27-15-6-2-1-3-7-15/h1-13,24H
InChIKey
MCAILCSAALHVMI-UHFFFAOYSA-N
Compound name
2-chloro-3-(4-phenoxyanilino)naphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

375.06622 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.07350 186.6
[M+Na]+ 398.05544 196.0
[M-H]- 374.05894 197.3
[M+NH4]+ 393.10004 199.7
[M+K]+ 414.02938 188.8
[M+H-H2O]+ 358.06348 177.1
[M+HCOO]- 420.06442 204.9
[M+CH3COO]- 434.08007 197.5
[M+Na-2H]- 396.04089 191.1
[M]+ 375.06567 189.5
[M]- 375.06677 189.5
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.