CID 550245

139604-89-0

Structural Information

Molecular Formula
C3F7IO
SMILES
C(C(F)(F)F)(OC(F)(F)F)(F)I
InChI
InChI=1S/C3F7IO/c4-1(5,6)2(7,11)12-3(8,9)10
InChIKey
AKRCGMWXORUMMA-UHFFFAOYSA-N
Compound name
1,1,1,2-tetrafluoro-2-iodo-2-(trifluoromethoxy)ethane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

47
Patents

311.8882 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.89548 137.6
[M+Na]+ 334.87742 140.5
[M-H]- 310.88092 123.9
[M+NH4]+ 329.92202 151.6
[M+K]+ 350.85136 145.2
[M+H-H2O]+ 294.88546 125.4
[M+HCOO]- 356.88640 145.8
[M+CH3COO]- 370.90205 191.7
[M+Na-2H]- 332.86287 132.1
[M]+ 311.88765 126.4
[M]- 311.88875 126.4
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