CID 12769945

1813-83-8

Structural Information

Molecular Formula
C10H8F12I2
SMILES
C(CI)C(C(C(C(C(C(CCI)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H8F12I2/c11-5(12,1-3-23)7(15,16)9(19,20)10(21,22)8(17,18)6(13,14)2-4-24/h1-4H2
InChIKey
FPHLHLVYLCQBKG-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-1,10-diiododecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

41
Patents

609.85236 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 610.85964 175.4
[M+Na]+ 632.84158 170.4
[M-H]- 608.84508 155.2
[M+NH4]+ 627.88618 248.6
[M+K]+ 648.81552 177.7
[M+H-H2O]+ 592.84962 159.2
[M+HCOO]- 654.85056 258.9
[M+CH3COO]- 668.86621 235.6
[M+Na-2H]- 630.82703 162.7
[M]+ 609.85181 157.9
[M]- 609.85291 157.9
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