CID 883791

2-chloro-3-(3,4-difluoroanilino)naphthoquinone

Structural Information

Molecular Formula
C16H8ClF2NO2
SMILES
C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC3=CC(=C(C=C3)F)F
InChI
InChI=1S/C16H8ClF2NO2/c17-13-14(20-8-5-6-11(18)12(19)7-8)16(22)10-4-2-1-3-9(10)15(13)21/h1-7,20H
InChIKey
DWIVXKJTVKYOLH-UHFFFAOYSA-N
Compound name
2-chloro-3-(3,4-difluoroanilino)naphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.02115 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.02843 166.3
[M+Na]+ 342.01037 178.5
[M-H]- 318.01387 172.2
[M+NH4]+ 337.05497 182.9
[M+K]+ 357.98431 171.2
[M+H-H2O]+ 302.01841 157.7
[M+HCOO]- 364.01935 183.4
[M+CH3COO]- 378.03500 209.7
[M+Na-2H]- 339.99582 169.8
[M]+ 319.02060 166.8
[M]- 319.02170 166.9
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.