CID 138396276

1,1,1,2,2,3,3-heptafluoro-5-iododecane

Structural Information

Molecular Formula
C10H14F7I
SMILES
CCCCCC(CC(C(C(F)(F)F)(F)F)(F)F)I
InChI
InChI=1S/C10H14F7I/c1-2-3-4-5-7(18)6-8(11,12)9(13,14)10(15,16)17/h7H,2-6H2,1H3
InChIKey
ALFSYYNBKXKTJH-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3-heptafluoro-5-iododecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

394.00284 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.01012 166.6
[M+Na]+ 416.99206 166.7
[M-H]- 392.99556 151.8
[M+NH4]+ 412.03666 177.6
[M+K]+ 432.96600 169.6
[M+H-H2O]+ 377.00010 153.4
[M+HCOO]- 439.00104 171.6
[M+CH3COO]- 453.01669 210.7
[M+Na-2H]- 414.97751 156.3
[M]+ 394.00229 156.0
[M]- 394.00339 156.0
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