CID 67987

4-fluoro-3-nitrobenzoic acid

Structural Information

Molecular Formula
C7H4FNO4
SMILES
C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])F
InChI
InChI=1S/C7H4FNO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,(H,10,11)
InChIKey
BOJWTAQWPVBIPG-UHFFFAOYSA-N
Compound name
4-fluoro-3-nitrobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

2573
Patents

185.01244 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.01972 130.6
[M+Na]+ 208.00166 142.5
[M+NH4]+ 203.04626 137.3
[M+K]+ 223.97560 141.1
[M-H]- 184.00516 131.1
[M+Na-2H]- 205.98711 135.6
[M]+ 185.01189 132.0
[M]- 185.01299 132.0
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