CID 98455008

3,3,4,4,5,5,6,6,6-nonafluorohexyl formate

Structural Information

Molecular Formula
C7H5F9O2
SMILES
C(COC=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H5F9O2/c8-4(9,1-2-18-3-17)5(10,11)6(12,13)7(14,15)16/h3H,1-2H2
InChIKey
BXBMJDMXOHONJT-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,6-nonafluorohexyl formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.0146 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.02188 185.2
[M+Na]+ 315.00382 186.0
[M+NH4]+ 310.04842 184.5
[M+K]+ 330.97776 183.3
[M-H]- 291.00732 176.8
[M+Na-2H]- 312.98927 182.0
[M]+ 292.01405 182.6
[M]- 292.01515 182.6
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

No patent data available for this compound.