CID 10968704

757-06-2

Structural Information

Molecular Formula
C5H6F5IO
SMILES
C(C(CO)I)C(C(F)(F)F)(F)F
InChI
InChI=1S/C5H6F5IO/c6-4(7,5(8,9)10)1-3(11)2-12/h3,12H,1-2H2
InChIKey
HIYFWRNMQLCCPO-UHFFFAOYSA-N
Compound name
4,4,5,5,5-pentafluoro-2-iodopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

303.93835 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.94563 143.7
[M+Na]+ 326.92757 144.6
[M-H]- 302.93107 130.3
[M+NH4]+ 321.97217 157.4
[M+K]+ 342.90151 148.7
[M+H-H2O]+ 286.93561 132.6
[M+HCOO]- 348.93655 152.4
[M+CH3COO]- 362.95220 189.9
[M+Na-2H]- 324.91302 135.5
[M]+ 303.93780 134.0
[M]- 303.93890 134.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe