CID 80140

6037-91-8

Structural Information

Molecular Formula
C4F7IO
SMILES
C(=C(F)F)(OC(C(F)(F)I)(F)F)F
InChI
InChI=1S/C4F7IO/c5-1(6)2(7)13-4(10,11)3(8,9)12
InChIKey
OURRZLCUWZZPKV-UHFFFAOYSA-N
Compound name
1,1,2,2-tetrafluoro-1-iodo-2-(1,2,2-trifluoroethenoxy)ethane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

802
Patents

323.8882 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.89548 138.5
[M+Na]+ 346.87742 140.5
[M-H]- 322.88092 124.4
[M+NH4]+ 341.92202 151.8
[M+K]+ 362.85136 144.8
[M+H-H2O]+ 306.88546 125.9
[M+HCOO]- 368.88640 146.4
[M+CH3COO]- 382.90205 195.1
[M+Na-2H]- 344.86287 129.7
[M]+ 323.88765 126.6
[M]- 323.88875 126.6
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