CID 2775154

1-iodo-1,2-bis(perfluoro-n-butyl)ethane

Structural Information

Molecular Formula
C10H3F18I
SMILES
C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)I)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H3F18I/c11-3(12,5(15,16)7(19,20)9(23,24)25)1-2(29)4(13,14)6(17,18)8(21,22)10(26,27)28/h2H,1H2
InChIKey
ZDRHSXVFEQIXGS-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,7,7,8,8,9,9,10,10,10-octadecafluoro-5-iododecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

591.8992 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 592.90648 201.3
[M+Na]+ 614.88842 207.6
[M-H]- 590.89192 206.7
[M+NH4]+ 609.93302 210.3
[M+K]+ 630.86236 215.7
[M+H-H2O]+ 574.89646 191.7
[M+HCOO]- 636.89740 218.1
[M+CH3COO]- 650.91305 240.6
[M+Na-2H]- 612.87387 199.2
[M]+ 591.89865 197.6
[M]- 591.89975 197.6
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.