CID 3456924

2-chloro-n-[4-(2-chloroacetamido)-3-nitrophenyl]acetamide

Structural Information

Molecular Formula
C10H9Cl2N3O4
SMILES
C1=CC(=C(C=C1NC(=O)CCl)[N+](=O)[O-])NC(=O)CCl
InChI
InChI=1S/C10H9Cl2N3O4/c11-4-9(16)13-6-1-2-7(14-10(17)5-12)8(3-6)15(18)19/h1-3H,4-5H2,(H,13,16)(H,14,17)
InChIKey
GAKGUNXCSNEHFU-UHFFFAOYSA-N
Compound name
2-chloro-N-[4-[(2-chloroacetyl)amino]-3-nitrophenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.997 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.00428 162.8
[M+Na]+ 327.98622 168.9
[M-H]- 303.98972 165.5
[M+NH4]+ 323.03082 177.4
[M+K]+ 343.96016 161.0
[M+H-H2O]+ 287.99426 162.8
[M+HCOO]- 349.99520 179.4
[M+CH3COO]- 364.01085 198.2
[M+Na-2H]- 325.97167 166.9
[M]+ 304.99645 164.5
[M]- 304.99755 164.5
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.