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
2
Annotation Hits

0
References

1
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 151.8
[M+Na]+ 315.00382 160.9
[M-H]- 291.00732 141.4
[M+NH4]+ 310.04842 166.7
[M+K]+ 330.97776 158.8
[M+H-H2O]+ 275.01186 140.9
[M+HCOO]- 337.01280 160.0
[M+CH3COO]- 351.02845 200.5
[M+Na-2H]- 312.98927 156.4
[M]+ 292.01405 141.0
[M]- 292.01515 141.0
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