CID 2782601

114810-56-9

Structural Information

Molecular Formula
C6H6F7IO
SMILES
C(C(CO)I)C(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C6H6F7IO/c7-4(5(8,9)10,6(11,12)13)1-3(14)2-15/h3,15H,1-2H2
InChIKey
VCOYOPKEJYAJCN-UHFFFAOYSA-N
Compound name
4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethyl)pentan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

32
Patents

353.93515 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.94243 152.4
[M+Na]+ 376.92437 153.6
[M-H]- 352.92787 137.0
[M+NH4]+ 371.96897 164.2
[M+K]+ 392.89831 157.1
[M+H-H2O]+ 336.93241 140.0
[M+HCOO]- 398.93335 157.4
[M+CH3COO]- 412.94900 198.2
[M+Na-2H]- 374.90982 143.7
[M]+ 353.93460 139.8
[M]- 353.93570 139.8
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