CID 12097765

95709-83-4

Structural Information

Molecular Formula
C13H7Cl3N2O4
SMILES
C1=CC(=C(C=C1C(=O)NC2=CC(=C(C=C2O)[N+](=O)[O-])Cl)Cl)Cl
InChI
InChI=1S/C13H7Cl3N2O4/c14-7-2-1-6(3-8(7)15)13(20)17-10-4-9(16)11(18(21)22)5-12(10)19/h1-5,19H,(H,17,20)
InChIKey
NUFLFFYSKACCKN-UHFFFAOYSA-N
Compound name
3,4-dichloro-N-(5-chloro-2-hydroxy-4-nitrophenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

359.94714 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.95442 173.8
[M+Na]+ 382.93636 182.0
[M-H]- 358.93986 177.6
[M+NH4]+ 377.98096 186.1
[M+K]+ 398.91030 172.5
[M+H-H2O]+ 342.94440 174.1
[M+HCOO]- 404.94534 183.4
[M+CH3COO]- 418.96099 204.9
[M+Na-2H]- 380.92181 176.0
[M]+ 359.94659 176.2
[M]- 359.94769 176.2
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

patents stripe