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 139.0
[M+Na]+ 254.99432 151.1
[M+NH4]+ 250.03892 146.1
[M+K]+ 270.96826 148.3
[M-H]- 230.99782 140.6
[M+Na-2H]- 252.97977 144.7
[M]+ 232.00455 141.1
[M]- 232.00565 141.1
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