CID 31981

2',4'-dinitro-2-fluoroacetanilide

Structural Information

Molecular Formula
C8H6FN3O5
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC(=O)CF
InChI
InChI=1S/C8H6FN3O5/c9-4-8(13)10-6-2-1-5(11(14)15)3-7(6)12(16)17/h1-3H,4H2,(H,10,13)
InChIKey
OUHRISILAJAWAH-UHFFFAOYSA-N
Compound name
N-(2,4-dinitrophenyl)-2-fluoroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.02914 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.03642 145.7
[M+Na]+ 266.01836 151.4
[M-H]- 242.02186 148.2
[M+NH4]+ 261.06296 160.3
[M+K]+ 281.99230 142.0
[M+H-H2O]+ 226.02640 147.1
[M+HCOO]- 288.02734 171.1
[M+CH3COO]- 302.04299 182.7
[M+Na-2H]- 264.00381 153.6
[M]+ 243.02859 141.3
[M]- 243.02969 141.3
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.