CID 3830163

763130-53-6

Structural Information

Molecular Formula
C17H11Cl2NO2
SMILES
CC1=C(C=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl)Cl
InChI
InChI=1S/C17H11Cl2NO2/c1-9-6-7-10(8-13(9)18)20-15-14(19)16(21)11-4-2-3-5-12(11)17(15)22/h2-8,20H,1H3
InChIKey
WQEIIUPNEMRZGT-UHFFFAOYSA-N
Compound name
2-chloro-3-(3-chloro-4-methylanilino)naphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.0167 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.02398 171.8
[M+Na]+ 354.00592 183.7
[M-H]- 330.00942 179.5
[M+NH4]+ 349.05052 188.5
[M+K]+ 369.97986 176.2
[M+H-H2O]+ 314.01396 165.8
[M+HCOO]- 376.01490 185.5
[M+CH3COO]- 390.03055 184.0
[M+Na-2H]- 351.99137 175.1
[M]+ 331.01615 176.1
[M]- 331.01725 176.1
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.