CID 77036

3486-08-6

Structural Information

Molecular Formula
C7F15I
SMILES
C(C(C(C(C(F)(F)I)(F)F)(F)F)(F)F)(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C7F15I/c8-1(5(15,16)17,6(18,19)20)2(9,10)3(11,12)4(13,14)7(21,22)23
InChIKey
OUFXTVSYOAPUKM-UHFFFAOYSA-N
Compound name
1,1,1,2,3,3,4,4,5,5,6,6-dodecafluoro-6-iodo-2-(trifluoromethyl)hexane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

87
Patents

495.88052 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.88780 174.3
[M+Na]+ 518.86974 178.1
[M-H]- 494.87324 154.6
[M+NH4]+ 513.91434 192.4
[M+K]+ 534.84368 180.0
[M+H-H2O]+ 478.87778 157.8
[M+HCOO]- 540.87872 205.6
[M+CH3COO]- 554.89437 225.2
[M+Na-2H]- 516.85519 167.5
[M]+ 495.87997 149.9
[M]- 495.88107 149.9
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