CID 2778812

38550-34-4

Structural Information

Molecular Formula
C9H6F13I
SMILES
CC(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I
InChI
InChI=1S/C9H6F13I/c1-3(23)2-4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h3H,2H2,1H3
InChIKey
REPFTMOJFHVIBT-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodononane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

7
Patents

487.93066 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.93794 175.3
[M+Na]+ 510.91988 177.7
[M-H]- 486.92338 156.3
[M+NH4]+ 505.96448 182.3
[M+K]+ 526.89382 179.9
[M+H-H2O]+ 470.92792 159.5
[M+HCOO]- 532.92886 171.1
[M+CH3COO]- 546.94451 225.6
[M+Na-2H]- 508.90533 166.5
[M]+ 487.93011 154.4
[M]- 487.93121 154.4
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