CID 125482516

1,1,1,2,2,3,3,4,4,6,6,8,8-tridecafluoro-10-iododecane

Structural Information

Molecular Formula
C10H8F13I
SMILES
C(CI)C(CC(CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H8F13I/c11-5(12,1-2-24)3-6(13,14)4-7(15,16)8(17,18)9(19,20)10(21,22)23/h1-4H2
InChIKey
YXBZHGLURYLFOB-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,6,6,8,8-tridecafluoro-10-iododecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

77
Patents

501.94632 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.95360 182.5
[M+Na]+ 524.93554 184.6
[M-H]- 500.93904 163.1
[M+NH4]+ 519.98014 199.4
[M+K]+ 540.90948 186.1
[M+H-H2O]+ 484.94358 166.2
[M+HCOO]- 546.94452 212.8
[M+CH3COO]- 560.96017 227.6
[M+Na-2H]- 522.92099 173.9
[M]+ 501.94577 162.4
[M]- 501.94687 162.4
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