CID 12015789

99324-98-8

Structural Information

Molecular Formula
C8H8F9I
SMILES
C(CCI)CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H8F9I/c9-5(10,3-1-2-4-18)6(11,12)7(13,14)8(15,16)17/h1-4H2
InChIKey
HUMXDBZLFGYHCC-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4-nonafluoro-8-iodooctane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

401.9527 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.95998 162.6
[M+Na]+ 424.94192 164.2
[M-H]- 400.94542 146.3
[M+NH4]+ 419.98652 173.1
[M+K]+ 440.91586 166.8
[M+H-H2O]+ 384.94996 148.5
[M+HCOO]- 446.95090 165.6
[M+CH3COO]- 460.96655 210.5
[M+Na-2H]- 422.92737 154.4
[M]+ 401.95215 148.5
[M]- 401.95325 148.5
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