CID 85835777

1,1,1,2,2,3,3,4,4,6,6-undecafluoro-8-iodooctane

Structural Information

Molecular Formula
C8H6F11I
SMILES
C(CI)C(CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H6F11I/c9-4(10,1-2-20)3-5(11,12)6(13,14)7(15,16)8(17,18)19/h1-3H2
InChIKey
MRPSASLEFZGUCD-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,6,6-undecafluoro-8-iodooctane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

121
Patents

437.93387 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.94115 167.6
[M+Na]+ 460.92309 169.8
[M-H]- 436.92659 149.7
[M+NH4]+ 455.96769 176.5
[M+K]+ 476.89703 172.0
[M+H-H2O]+ 420.93113 152.5
[M+HCOO]- 482.93207 167.4
[M+CH3COO]- 496.94772 216.6
[M+Na-2H]- 458.90854 159.6
[M]+ 437.93332 150.1
[M]- 437.93442 150.1
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