CID 71361494

1,1,1,2,2,3,3,4,4,5,5,6,6,8,8-pentadecafluoro-10-iododecane

Structural Information

Molecular Formula
C10H6F15I
SMILES
C(CI)C(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H6F15I/c11-4(12,1-2-26)3-5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h1-3H2
InChIKey
MVOSMHMFUFQGRI-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,8,8-pentadecafluoro-10-iododecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

43
Patents

537.9275 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 538.93478 188.3
[M+Na]+ 560.91672 191.0
[M-H]- 536.92022 198.2
[M+NH4]+ 555.96132 202.5
[M+K]+ 576.89066 192.2
[M+H-H2O]+ 520.92476 171.2
[M+HCOO]- 582.92570 214.8
[M+CH3COO]- 596.94135 233.1
[M+Na-2H]- 558.90217 180.1
[M]+ 537.92695 164.9
[M]- 537.92805 164.9
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