CID 2782381

1-iodo-1h,1h-perfluorooctane

Structural Information

Molecular Formula
C8H2F15I
SMILES
C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I
InChI
InChI=1S/C8H2F15I/c9-2(10,1-24)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h1H2
InChIKey
CVJNJHVXFLKZGB-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-8-iodooctane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

509.89618 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.90346 179.0
[M+Na]+ 532.88540 182.4
[M-H]- 508.88890 159.1
[M+NH4]+ 527.93000 195.5
[M+K]+ 548.85934 184.1
[M+H-H2O]+ 492.89344 162.3
[M+HCOO]- 554.89438 208.3
[M+CH3COO]- 568.91003 228.2
[M+Na-2H]- 530.87085 171.8
[M]+ 509.89563 155.0
[M]- 509.89673 155.0
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