CID 43449064

4-fluoro-2-iodo-5-nitrobenzoic acid

Structural Information

Molecular Formula
C7H3FINO4
SMILES
C1=C(C(=CC(=C1[N+](=O)[O-])F)I)C(=O)O
InChI
InChI=1S/C7H3FINO4/c8-4-2-5(9)3(7(11)12)1-6(4)10(13)14/h1-2H,(H,11,12)
InChIKey
UXSGDXKNZKMKKV-UHFFFAOYSA-N
Compound name
4-fluoro-2-iodo-5-nitrobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.9091 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.916376 150.4
[M+Na]+ 333.898318 152.2
[M-H]- 309.901824 145.5
[M+NH4]+ 328.942923 163.3
[M+K]+ 349.872258 152.3
[M+H-H2O]+ 293.906360 144.9
[M+HCOO]- 355.907301 168.3
[M+CH3COO]- 369.922951 185.4
[M+Na-2H]- 331.883766 143.4
[M]+ 310.90855142 145.6
[M]- 310.90964858 145.6
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.