CID 45074914

1,1,1,2,2,3,3-heptafluoro-7-iodoheptane

Structural Information

Molecular Formula
C7H8F7I
SMILES
C(CCI)CC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H8F7I/c8-5(9,3-1-2-4-15)6(10,11)7(12,13)14/h1-4H2
InChIKey
MGAFZAISKPGHKL-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3-heptafluoro-7-iodoheptane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14
Patents

351.9559 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.96318 153.0
[M+Na]+ 374.94512 154.4
[M-H]- 350.94862 138.6
[M+NH4]+ 369.98972 165.6
[M+K]+ 390.91906 157.6
[M+H-H2O]+ 334.95316 140.2
[M+HCOO]- 396.95410 159.8
[M+CH3COO]- 410.96975 201.7
[M+Na-2H]- 372.93057 145.3
[M]+ 351.95535 142.0
[M]- 351.95645 142.0
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