CID 58901194

1,1,1,2,5,5,5-heptafluoro-4-iodo-2-(trifluoromethyl)pentane

Structural Information

Molecular Formula
C6H3F10I
SMILES
C(C(C(F)(F)F)I)C(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C6H3F10I/c7-3(5(11,12)13,6(14,15)16)1-2(17)4(8,9)10/h2H,1H2
InChIKey
IFPFCMSUTLBECN-UHFFFAOYSA-N
Compound name
1,1,1,2,5,5,5-heptafluoro-4-iodo-2-(trifluoromethyl)pentane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

266
Patents

391.912 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.91928 153.7
[M+Na]+ 414.90122 156.2
[M-H]- 390.90472 136.9
[M+NH4]+ 409.94582 164.5
[M+K]+ 430.87516 159.3
[M+H-H2O]+ 374.90926 139.4
[M+HCOO]- 436.91020 155.7
[M+CH3COO]- 450.92585 207.3
[M+Na-2H]- 412.88667 145.3
[M]+ 391.91145 136.9
[M]- 391.91255 136.9
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

patents stripe