CID 99769524

3,3,4,4,5,5,6,6,6-nonafluorohexyl carbonochloridate

Structural Information

Molecular Formula
C7H4ClF9O2
SMILES
C(COC(=O)Cl)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H4ClF9O2/c8-3(18)19-2-1-4(9,10)5(11,12)6(13,14)7(15,16)17/h1-2H2
InChIKey
JLPDNEGZZRIXGN-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,6-nonafluorohexyl carbonochloridate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

325.97562 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.98290 152.7
[M+Na]+ 348.96484 162.5
[M-H]- 324.96834 142.6
[M+NH4]+ 344.00944 167.2
[M+K]+ 364.93878 158.7
[M+H-H2O]+ 308.97288 142.7
[M+HCOO]- 370.97382 156.0
[M+CH3COO]- 384.98947 204.1
[M+Na-2H]- 346.95029 156.3
[M]+ 325.97507 143.4
[M]- 325.97617 143.4
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

No patent data available for this compound.