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

29
Patents

353.93515 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.942426 152.4
[M+Na]+ 376.924368 153.6
[M-H]- 352.927874 137.0
[M+NH4]+ 371.968973 164.2
[M+K]+ 392.898308 157.1
[M+H-H2O]+ 336.932410 140.0
[M+HCOO]- 398.933351 157.4
[M+CH3COO]- 412.949001 198.2
[M+Na-2H]- 374.909816 143.7
[M]+ 353.93460142 139.8
[M]- 353.93569858 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