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]+ 311.91638 150.4
[M+Na]+ 333.89832 152.2
[M-H]- 309.90182 145.5
[M+NH4]+ 328.94292 163.3
[M+K]+ 349.87226 152.3
[M+H-H2O]+ 293.90636 144.9
[M+HCOO]- 355.90730 168.3
[M+CH3COO]- 369.92295 185.4
[M+Na-2H]- 331.88377 143.4
[M]+ 310.90855 145.6
[M]- 310.90965 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.