CID 258896

2,4-dinitro-5-fluoroacetanilide

Structural Information

Molecular Formula
C8H6FN3O5
SMILES
CC(=O)NC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])F
InChI
InChI=1S/C8H6FN3O5/c1-4(13)10-6-2-5(9)7(11(14)15)3-8(6)12(16)17/h2-3H,1H3,(H,10,13)
InChIKey
LZBXUWOTXPNTNQ-UHFFFAOYSA-N
Compound name
N-(5-fluoro-2,4-dinitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

243.02914 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.03642 145.2
[M+Na]+ 266.01836 151.9
[M-H]- 242.02186 148.1
[M+NH4]+ 261.06296 160.2
[M+K]+ 281.99230 142.6
[M+H-H2O]+ 226.02640 147.0
[M+HCOO]- 288.02734 170.7
[M+CH3COO]- 302.04299 183.8
[M+Na-2H]- 264.00381 152.6
[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

patents stripe