CID 3017476

3,3,4,4,5,5,6,6,6-nonafluorohexanoyl chloride

Structural Information

Molecular Formula
C6H2ClF9O
SMILES
C(C(=O)Cl)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6H2ClF9O/c7-2(17)1-3(8,9)4(10,11)5(12,13)6(14,15)16/h1H2
InChIKey
OSYDIIQLLFZQKP-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,6-nonafluorohexanoyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14
Patents

295.96506 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.97234 145.0
[M+Na]+ 318.95428 155.1
[M-H]- 294.95778 135.0
[M+NH4]+ 313.99888 160.6
[M+K]+ 334.92822 151.1
[M+H-H2O]+ 278.96232 135.2
[M+HCOO]- 340.96326 148.3
[M+CH3COO]- 354.97891 200.1
[M+Na-2H]- 316.93973 148.9
[M]+ 295.96451 133.9
[M]- 295.96561 133.9
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