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

No literature data available for this compound.

Patent stripe

patents stripe