CID 86089259

2,3,5,6-tetrafluoro-4-iodobenzoic acid

Structural Information

Molecular Formula
C7HF4IO2
SMILES
C1(=C(C(=C(C(=C1F)F)I)F)F)C(=O)O
InChI
InChI=1S/C7HF4IO2/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h(H,13,14)
InChIKey
IPBIQLSWJVGNAI-UHFFFAOYSA-N
Compound name
2,3,5,6-tetrafluoro-4-iodobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

319.89575 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.90303 138.6
[M+Na]+ 342.88497 143.6
[M-H]- 318.88847 130.6
[M+NH4]+ 337.92957 152.6
[M+K]+ 358.85891 146.2
[M+H-H2O]+ 302.89301 127.2
[M+HCOO]- 364.89395 152.5
[M+CH3COO]- 378.90960 194.8
[M+Na-2H]- 340.87042 128.5
[M]+ 319.89520 132.4
[M]- 319.89630 132.4
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