CID 138396281

1,1,1,2,2,3,3,4,4-nonafluoro-6-iodo-7,7-dimethyloctane

Structural Information

Molecular Formula
C10H12F9I
SMILES
CC(C)(C)C(CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)I
InChI
InChI=1S/C10H12F9I/c1-6(2,3)5(20)4-7(11,12)8(13,14)9(15,16)10(17,18)19/h5H,4H2,1-3H3
InChIKey
RZXNATDVPGMVHV-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4-nonafluoro-6-iodo-7,7-dimethyloctane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

429.984 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.99128 169.2
[M+Na]+ 452.97322 170.4
[M-H]- 428.97672 153.3
[M+NH4]+ 448.01782 178.8
[M+K]+ 468.94716 173.5
[M+H-H2O]+ 412.98126 155.7
[M+HCOO]- 474.98220 169.5
[M+CH3COO]- 488.99785 216.6
[M+Na-2H]- 450.95867 160.5
[M]+ 429.98345 154.5
[M]- 429.98455 154.5
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

No patent data available for this compound.