CID 486457

R-18893

Structural Information

Molecular Formula
C14H11Cl2N3O3
SMILES
C1=CC=C(C(=C1)NC(C2=C(C=CC=C2Cl)Cl)C(=O)N)[N+](=O)[O-]
InChI
InChI=1S/C14H11Cl2N3O3/c15-8-4-3-5-9(16)12(8)13(14(17)20)18-10-6-1-2-7-11(10)19(21)22/h1-7,13,18H,(H2,17,20)
InChIKey
BSFPWNBIKBSHRL-UHFFFAOYSA-N
Compound name
2-(2,6-dichlorophenyl)-2-(2-nitroanilino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

421
Patents

339.01776 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.02504 173.5
[M+Na]+ 362.00698 179.4
[M-H]- 338.01048 178.6
[M+NH4]+ 357.05158 186.1
[M+K]+ 377.98092 170.1
[M+H-H2O]+ 322.01502 172.0
[M+HCOO]- 384.01596 188.9
[M+CH3COO]- 398.03161 206.6
[M+Na-2H]- 359.99243 176.2
[M]+ 339.01721 173.5
[M]- 339.01831 173.5
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

patents stripe