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]+ 395.010116 166.6
[M+Na]+ 416.992058 166.7
[M-H]- 392.995564 151.8
[M+NH4]+ 412.036663 177.6
[M+K]+ 432.965998 169.6
[M+H-H2O]+ 377.000100 153.4
[M+HCOO]- 439.001041 171.6
[M+CH3COO]- 453.016691 210.7
[M+Na-2H]- 414.977506 156.3
[M]+ 394.00229142 156.0
[M]- 394.00338858 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