CID 13299950

1,1,1,2,2,3,3,4,4-nonafluoro-6-iododecane

Structural Information

Molecular Formula
C10H12F9I
SMILES
CCCCC(CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)I
InChI
InChI=1S/C10H12F9I/c1-2-3-4-6(20)5-7(11,12)8(13,14)9(15,16)10(17,18)19/h6H,2-5H2,1H3
InChIKey
REVTURCVXSGZNE-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4-nonafluoro-6-iododecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

429.984 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.99128 170.7
[M+Na]+ 452.97322 171.5
[M-H]- 428.97672 154.2
[M+NH4]+ 448.01782 180.2
[M+K]+ 468.94716 174.0
[M+H-H2O]+ 412.98126 156.5
[M+HCOO]- 474.98220 172.3
[M+CH3COO]- 488.99785 216.6
[M+Na-2H]- 450.95867 160.6
[M]+ 429.98345 156.8
[M]- 429.98455 156.8
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