CID 23630529

954373-95-6

Structural Information

Molecular Formula
C7HF4IO4
SMILES
C12=C(C(=C(C(=C1I(=O)(OC2=O)O)F)F)F)F
InChI
InChI=1S/C7HF4IO4/c8-2-1-6(5(11)4(10)3(2)9)12(14,15)16-7(1)13/h(H,14,15)
InChIKey
OPFKDVCBUPHSII-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrafluoro-1-hydroxy-1-oxo-1lambda5,2-benziodoxol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

351.88556 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.89284 138.8
[M+Na]+ 374.87478 146.3
[M-H]- 350.87828 132.9
[M+NH4]+ 369.91938 155.1
[M+K]+ 390.84872 149.4
[M+H-H2O]+ 334.88282 129.0
[M+HCOO]- 396.88376 152.7
[M+CH3COO]- 410.89941 196.2
[M+Na-2H]- 372.86023 131.9
[M]+ 351.88501 135.1
[M]- 351.88611 135.1
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