CID 334158

Nsc338539

Structural Information

Molecular Formula
C20H10Cl3NO3
SMILES
C1=CC2=C(C=C1NC(=O)C3=C(C=C(C=C3)Cl)Cl)C(=O)C4=C(O2)C=CC(=C4)Cl
InChI
InChI=1S/C20H10Cl3NO3/c21-10-2-5-17-14(7-10)19(25)15-9-12(3-6-18(15)27-17)24-20(26)13-4-1-11(22)8-16(13)23/h1-9H,(H,24,26)
InChIKey
UCCKDLCHACJCKD-UHFFFAOYSA-N
Compound name
2,4-dichloro-N-(7-chloro-9-oxoxanthen-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.97263 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.97991 189.6
[M+Na]+ 439.96185 202.9
[M-H]- 415.96535 197.8
[M+NH4]+ 435.00645 202.4
[M+K]+ 455.93579 196.5
[M+H-H2O]+ 399.96989 182.9
[M+HCOO]- 461.97083 197.6
[M+CH3COO]- 475.98648 200.5
[M+Na-2H]- 437.94730 194.5
[M]+ 416.97208 198.7
[M]- 416.97318 198.7
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.