CID 67633

Perfluoroheptyl iodide

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

0
References

251
Patents

495.88052 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.887796 174.4
[M+Na]+ 518.869738 178.1
[M-H]- 494.873244 154.6
[M+NH4]+ 513.914343 192.0
[M+K]+ 534.843678 180.0
[M+H-H2O]+ 478.877780 157.8
[M+HCOO]- 540.878721 205.1
[M+CH3COO]- 554.894371 225.8
[M+Na-2H]- 516.855186 167.6
[M]+ 495.87997142 150.0
[M]- 495.88106858 150.0
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