CID 18536715

2-acetamido-5-fluoro-4-nitrobenzoic acid

Structural Information

Molecular Formula
C9H7FN2O5
SMILES
CC(=O)NC1=CC(=C(C=C1C(=O)O)F)[N+](=O)[O-]
InChI
InChI=1S/C9H7FN2O5/c1-4(13)11-7-3-8(12(16)17)6(10)2-5(7)9(14)15/h2-3H,1H3,(H,11,13)(H,14,15)
InChIKey
CNLJIEQUDKSTHL-UHFFFAOYSA-N
Compound name
2-acetamido-5-fluoro-4-nitrobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

242.0339 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.04118 144.8
[M+Na]+ 265.02312 154.6
[M+NH4]+ 260.06772 149.6
[M+K]+ 280.99706 154.6
[M-H]- 241.02662 144.4
[M+Na-2H]- 263.00857 147.8
[M]+ 242.03335 145.5
[M]- 242.03445 145.5
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