CID 2782379

212563-43-4

Structural Information

Molecular Formula
C7H2F13I
SMILES
C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I
InChI
InChI=1S/C7H2F13I/c8-2(9,1-21)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20/h1H2
InChIKey
GBDROMNKGSCMDH-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-7-iodoheptane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

24
Patents

459.89935 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.90663 168.2
[M+Na]+ 482.88857 171.4
[M-H]- 458.89207 149.4
[M+NH4]+ 477.93317 176.2
[M+K]+ 498.86251 173.5
[M+H-H2O]+ 442.89661 152.5
[M+HCOO]- 504.89755 165.3
[M+CH3COO]- 518.91320 219.9
[M+Na-2H]- 480.87402 161.1
[M]+ 459.89880 147.2
[M]- 459.89990 147.2
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