CID 2773811

81962-58-5

Structural Information

Molecular Formula
C8H6ClFN2O3
SMILES
CC(=O)NC1=CC(=C(C=C1[N+](=O)[O-])F)Cl
InChI
InChI=1S/C8H6ClFN2O3/c1-4(13)11-7-2-5(9)6(10)3-8(7)12(14)15/h2-3H,1H3,(H,11,13)
InChIKey
PFFDKLGOPDBQQD-UHFFFAOYSA-N
Compound name
N-(5-chloro-4-fluoro-2-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

232.0051 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.01238 142.3
[M+Na]+ 254.99432 151.3
[M-H]- 230.99782 145.2
[M+NH4]+ 250.03892 160.4
[M+K]+ 270.96826 144.1
[M+H-H2O]+ 215.00236 141.5
[M+HCOO]- 277.00330 163.2
[M+CH3COO]- 291.01895 185.4
[M+Na-2H]- 252.97977 147.9
[M]+ 232.00455 142.1
[M]- 232.00565 142.1
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