CID 2776170

63703-16-2

Structural Information

Molecular Formula
C6HF12I
SMILES
C(C(C(C(C(C(F)(F)I)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6HF12I/c7-1(8)2(9,10)3(11,12)4(13,14)5(15,16)6(17,18)19/h1H
InChIKey
LCUJIKCXBBVFQF-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1-iodohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

427.89313 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.90041 158.8
[M+Na]+ 450.88235 161.6
[M-H]- 426.88585 140.5
[M+NH4]+ 445.92695 167.8
[M+K]+ 466.85629 164.3
[M+H-H2O]+ 410.89039 143.5
[M+HCOO]- 472.89133 157.5
[M+CH3COO]- 486.90698 215.3
[M+Na-2H]- 448.86780 150.6
[M]+ 427.89258 138.9
[M]- 427.89368 138.9
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