CID 6365807

80962-91-0

Structural Information

Molecular Formula
C5ClF9O
SMILES
C(=C(F)F)(OC(C(C(F)(F)Cl)(F)F)(F)F)F
InChI
InChI=1S/C5ClF9O/c6-4(12,13)3(10,11)5(14,15)16-2(9)1(7)8
InChIKey
BSYZCTLPTCSJLJ-UHFFFAOYSA-N
Compound name
1-chloro-1,1,2,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

281.9494 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.95668 139.6
[M+Na]+ 304.93862 149.6
[M-H]- 280.94212 129.4
[M+NH4]+ 299.98322 155.7
[M+K]+ 320.91256 145.7
[M+H-H2O]+ 264.94666 129.7
[M+HCOO]- 326.94760 143.9
[M+CH3COO]- 340.96325 197.4
[M+Na-2H]- 302.92407 141.9
[M]+ 281.94885 128.4
[M]- 281.94995 128.4
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