CID 1796610

2-chloro-n-(4-fluoro-3-nitrophenyl)acetamide

Structural Information

Molecular Formula
C8H6ClFN2O3
SMILES
C1=CC(=C(C=C1NC(=O)CCl)[N+](=O)[O-])F
InChI
InChI=1S/C8H6ClFN2O3/c9-4-8(13)11-5-1-2-6(10)7(3-5)12(14)15/h1-3H,4H2,(H,11,13)
InChIKey
NNPSKPMFJTXMMY-UHFFFAOYSA-N
Compound name
2-chloro-N-(4-fluoro-3-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

232.0051 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.01238 142.8
[M+Na]+ 254.99432 150.9
[M-H]- 230.99782 145.3
[M+NH4]+ 250.03892 160.5
[M+K]+ 270.96826 143.6
[M+H-H2O]+ 215.00236 141.7
[M+HCOO]- 277.00330 163.7
[M+CH3COO]- 291.01895 184.2
[M+Na-2H]- 252.97977 149.0
[M]+ 232.00455 142.2
[M]- 232.00565 142.2
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