CID 44629785

Vwqywwxqiyuvqp-uhfffaoysa-n

Structural Information

Molecular Formula
C9H5F7I
SMILES
C1=CC=C(C=C1)[I+]C(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C9H5F7I/c10-7(8(11,12)13,9(14,15)16)17-6-4-2-1-3-5-6/h1-5H/q+1
InChIKey
VWQYWWXQIYUVQP-UHFFFAOYSA-N
Compound name
1,1,1,2,3,3,3-heptafluoropropan-2-yl(phenyl)iodanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.93243 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.93971 155.4
[M+Na]+ 395.92165 157.5
[M-H]- 371.92515 144.2
[M+NH4]+ 390.96625 166.7
[M+K]+ 411.89559 154.4
[M+H-H2O]+ 355.92969 144.0
[M+HCOO]- 417.93063 162.8
[M+CH3COO]- 431.94628 196.0
[M+Na-2H]- 393.90710 151.8
[M]+ 372.93188 141.8
[M]- 372.93298 141.8
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.