CID 71419655

4,4,5,5,6,6,7,7,7-nonafluoroheptyl carbonochloridate

Structural Information

Molecular Formula
C8H6ClF9O2
SMILES
C(CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)COC(=O)Cl
InChI
InChI=1S/C8H6ClF9O2/c9-4(19)20-3-1-2-5(10,11)6(12,13)7(14,15)8(16,17)18/h1-3H2
InChIKey
DDWXIFAGBUZUHP-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,7-nonafluoroheptyl carbonochloridate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

339.99127 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.99855 157.5
[M+Na]+ 362.98049 166.9
[M-H]- 338.98399 147.2
[M+NH4]+ 358.02509 171.5
[M+K]+ 378.95443 162.8
[M+H-H2O]+ 322.98853 147.2
[M+HCOO]- 384.98947 160.4
[M+CH3COO]- 399.00512 207.0
[M+Na-2H]- 360.96594 160.6
[M]+ 339.99072 148.5
[M]- 339.99182 148.5
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.